SCHEMBL4636833

SCHEMBL4636833

Cc1ccc(C(=O)N2C(=O)CCC2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
GAA P10253 4/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.40
MGLL Q99685 1/20 0.40
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL8381433 0.85 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1PTGDR2
SCHEMBL6672033 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL6674648 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1PKMHPGD
SCHEMBL7605167 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL7605169 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL7609455 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL7610455 0.77 KMT2A (0.40) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL8378733 0.76 ACHE (0.47) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL4644614 0.76 ITGB1 (0.58) KMT2AMEN1ALDH1A1HPGDHSD11B1
SCHEMBL7606453 0.73 TSHR (0.38) KMT2AMEN1ALDH1A1PKMHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605933-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5- METHYL-N-CYCLOALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID WITH ARYL AMINES DU PONT (US) 2008-07-02 EP disclosed
EP-1605933-A1 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5- METHYL-N-CYCLOALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID WITH ARYL AMINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-21 EP disclosed
US-6903222-B2 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-06-07 US disclosed
WO-2004084887-A1 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5- METHYL-N-CYCLOALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID WITH ARYL AMINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
US-20040192939-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines MANZER LEO ERNEST (US) 2004-09-30 US disclosed
US-6743819-B1 METAL CATALYST E. I. DU PONTE DE NEMOURS AND COMPANY 2004-06-01 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 (1 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-20040192939-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines PNPO, ASNS, PAH KMT2A 328/4885MEN1 3371/4885ALDH1A1 326/4885

“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.