SCHEMBL4644618

SCHEMBL4644618

Cc1ccccc1N1C(=O)CCC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
ALOX5 P09917 2/20 0.42
MGLL Q99685 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4642236 0.81 LMNA (0.46) NOTUMKMT2AMAPTMEN1LMNA
SCHEMBL18593390 0.81 NOTUM (0.45) NOTUMKDM4E
SCHEMBL13723399 0.79 POLB (0.47) KMT2AMEN1ALDH1A1NPSR1L3MBTL1
SCHEMBL4739954 0.79 FAAH (0.46) NOTUMMGLL
SCHEMBL4644950 0.79 HTR7 (0.48) NOTUMKMT2AMEN1KDM4EALDH1A1
SCHEMBL609915 0.77 NOTUM (0.42) NOTUMKMT2AMAPTMEN1KDM4E
SCHEMBL29526585 0.76 ALDH1A1 (0.48) NOTUMKMT2AMAPTALDH1A1LMNA
SCHEMBL16480455 0.76 PARP1 (0.41) NOTUMKMT2AMEN1ALDH1A1
SCHEMBL3006586 0.74 MEN1 (0.41) NOTUMKMT2AMAPTMEN1KDM4E
SCHEMBL2997925 0.74 MEN1 (0.41) NOTUMKMT2AMAPTMEN1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605756-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID ESTERS WITH ARYL AND ALKYL AMINES DU PONT (US) 2008-08-13 EP disclosed
EP-1606046-A4 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5- METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH CYANO COMPOUNDS DU PONT (US) 2008-06-25 EP disclosed
US-7129362-B2 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-31 US disclosed
US-7030074-B2 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E I. DUPONT DE NEMOURS AND COMPANY (US) 2006-04-18 US disclosed
US-7025819-B2 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E. I. DUPONT DE NEMOURS AND COMPANY (US) 2006-04-11 US disclosed
US-7014697-B2 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-03-21 US disclosed
EP-1605756-A2 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID ESTERS WITH ARYL AND ALKYL AMINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-21 EP disclosed
EP-1606046-A2 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5- METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH CYANO COMPOUNDS E.I. Dupont De Nemours (US) 2005-12-21 EP disclosed
US-6930126-B2 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID ESTERS WITH CYANO COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-08-16 US disclosed
US-6916842-B2 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID ESTERS WITH CYANO COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-07-12 US disclosed
US-20050120912-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E.I. DU PONT DE NEMOURS AND COMPANY 2005-06-09 US disclosed
US-20050059829-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E. I. DU PONT DE NEMOURS AND COMPANY 2005-03-17 US disclosed
US-20050049423-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E. I. DU PONT DE NEMOURS AND COMPANY 2005-03-03 US disclosed
US-20050038265-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines MANZER LEO ERNEST (US) 2005-02-17 US disclosed
US-20050033062-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines MANZER LEO ERNEST (US) 2005-02-10 US disclosed
US-20050033063-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines MANZER LEO ERNEST (US) 2005-02-10 US disclosed
WO-2004085048-A2 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5- METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH CYANO COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004085348-A2 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
US-20040192935-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds E.I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
US-20040192938-A1 Production of 5-mehyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049423-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds PNPO, ALDH18A1, RIMKLA NOTUM 1891/4885KMT2A 656/4885MAPT 2895/4885
US-20050033063-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT NOTUM 2571/4885KMT2A 323/4885MAPT 2001/4885
US-20040192938-A1 Production of 5-mehyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines PAH, ALDH18A1, PNPO NOTUM 2027/4885KMT2A 285/4885MAPT 1747/4885
US-20050038265-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT NOTUM 2571/4885KMT2A 323/4885MAPT 2001/4885
US-20050120912-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds PNPO, ALDH18A1, RIMKLA NOTUM 1891/4885KMT2A 656/4885MAPT 2895/4885
US-20050033062-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT NOTUM 2571/4885KMT2A 323/4885MAPT 2001/4885
US-20050059829-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds PNPO, ALDH18A1, RIMKLA NOTUM 1891/4885KMT2A 656/4885MAPT 2895/4885
US-20040192935-A1 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with cyano compounds PNPO, ALDH18A1, RIMKLA NOTUM 1891/4885KMT2A 656/4885MAPT 2895/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.