SCHEMBL5839153

SCHEMBL5839153

COC(=O)C(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.58
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL1757552 0.86 LMNA (0.60) LMNAPOLBHTTSMN1; SMN2ALOX15
SCHEMBL21715039 0.84 LMNA (0.58) LMNAPOLBHTTSMN1; SMN2ALOX15
SCHEMBL31483318 0.83 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL917955 0.83 ALDH1A1 (0.60) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL28221986 0.82 POLB (0.48) LMNAPOLBHTTSMN1; SMN2ALOX15
SCHEMBL25252086 0.81 POLB (0.62) LMNAPOLBHTTSMN1; SMN2ALOX15
SCHEMBL21715126 0.81 PLA2G1B (0.56) LMNAPOLBHTTSMN1; SMN2ALDH1A1
SCHEMBL25252085 0.81 POLB (0.62) LMNAPOLBHTTSMN1; SMN2ALOX15
SCHEMBL312623 0.81 LMNA (0.55) LMNAPOLBHTTSMN1; SMN2ALOX15
SCHEMBL28575796 0.81 TP53 (0.52) LMNAPOLBHTTSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696617-B2 Method for alcoholysis of amide ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-06-30 US disclosed
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-02-20 US disclosed
CN-107417594-A A kind of method of acid amides alcoholysis 凯莱英医药集团(天津)股份有限公司 2017-12-01 CN disclosed
US-7005450-B2 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2006-02-28 US disclosed
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2005-11-17 US disclosed
CN-1217922-C 2-Amino-2-alkyl-4-hexenoic and hexynoic acid derivatives as nitric oxide synthase inhibitors PHARMACIA CORP (US) 2005-09-07 CN disclosed
US-20040192779-A1 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors DURLEY RICHARD C (US) 2004-09-30 US disclosed
US-6756406-B2 ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES; OSTEOARTHRITIS; INHIBITION OF THE INDUCIBLE NITRIC OXIDE SYNTHASE - INDUCED AFTER ACTIVATION OF VASCULAR SMOOTH MUSCLE, MACROPHAGES, ENDOTHELIAL CELLS BY ENOTOXIN AND CYTOKINES PHARMACIA CORPORATION 2004-06-29 US disclosed
CN-1474804-A 2-amino-2-alkyl-4-hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors 2004-02-11 CN disclosed
EP-1317416-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-09-12 US disclosed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO 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 (5 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-20040192779-A1 2-amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 LMNA 3169/4885POLB 2582/4885HTT 2535/4885
US-20020128510-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 LMNA 3169/4885POLB 2582/4885HTT 2535/4885
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ADH1A, ADH5, ADH1C LMNA 963/4885POLB 299/4885HTT 4723/4885
US-20050256199-A1 2-Amino-2-alkyl-4 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors ALOX12, ALOX5, ALOX15 LMNA 3169/4885POLB 2582/4885HTT 2535/4885
US-10696617-B2 Method for alcoholysis of amide ADH5, ADH1A, ADH1C LMNA 1293/4885POLB 444/4885HTT 4662/4885

“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.