SCHEMBL4037990

SCHEMBL4037990

CCc1c(N=C=O)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CLCN2 P51788 1/20 0.39
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
IDE P14735 1/20 0.34
MYC P01106 2/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL1355391 0.78 ALDH1A1 (0.52) CLCN2ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL9420612 0.78 GABRA1 (0.34) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3765835 0.78 CYP3A4 (0.66) CYP3A4ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL2347924 0.78 GABRA1 (0.60) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL4687669 0.77 ALDH1A1 (0.52) CYP3A4ALDH1A1ALOX15KDM4EHPGD
SCHEMBL4705523 0.76 CYP3A4 (0.57) CYP3A4GABRA1GABRB2ALDH1A1HSD17B10
SCHEMBL10594316 0.76 CYP3A4 (0.47) CYP3A4GABRA1GABRB2ALDH1A1ALOX15
Methane SCHEMBL5177350 0.75 ALDH1A1 (0.50) CYP3A4ALDH1A1ALOX15KDM4EHPGD
Hydrochloric Acid SCHEMBL10392666 0.75 ALDH1A1 (0.50) CYP3A4ALDH1A1ALOX15KDM4EHPGD
SCHEMBL5113652 0.75 GABRA1 (0.68) GABRA1GABRB2CLCN2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2026-01-20 US claimed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US claimed
CN-102164900-A 3-amino-indazole or 3-amino-4,5,6,7-tetrahydro-indazole derivatives HOFFMANN LA ROCHE 2011-08-24 CN disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
EP-1317430-B1 (2-AZABICYCLO [2.2.1]HEPT-7-YL)METHANOL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS MERCK PATENT GMBH (DE) 2005-05-18 EP disclosed
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
EP-1317430-A1 (2-AZABICYCLO 2.2.1]HEPT-7-YL)METHANOL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS MERCK PATENT GmbH (DE) 2003-06-11 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
WO-2002022578-A1 (2-AZABICYCLO[2.2.1]HEPT-7-YL)METHANOL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS MERCK PATENT GMBH (DE) 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 (6 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 CYP3A4 846/4885GABRA1 361/4885GABRB2 567/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC CYP3A4 433/4885GABRA1 2687/4885GABRB2 3139/4885
US-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CYP3A4 1524/4885GABRA1 4303/4885GABRB2 3687/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CYP3A4 1900/4885GABRA1 2801/4885GABRB2 2210/4885
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof ATG7, GOT1, ULK1 CYP3A4 947/4885GABRA1 3104/4885GABRB2 2871/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 CYP3A4 784/4885GABRA1 484/4885GABRB2 615/4885

“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.