SCHEMBL162188

SCHEMBL162188

Cc1cccnc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
MAPT P10636 3/20 0.50
PLAU P00749 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
AHR P35869 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
P2RX7 Q99572 1/20 0.46
BRD4 O60885 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
Hydrochloric Acid SCHEMBL6385939 0.98 L3MBTL1 (0.49) L3MBTL1MAPTPLAUNOS3NOS1
Hydrochloric Acid SCHEMBL28847816 0.98 L3MBTL1 (0.49) L3MBTL1MAPTPLAUNOS3NOS1
Formamide SCHEMBL28278147 0.93 L3MBTL1 (0.45) L3MBTL1MAPTPLAUNOS3NOS1
SCHEMBL27162912 0.86 L3MBTL1 (0.42) L3MBTL1MAPTPLAUNOS3NOS1
SCHEMBL30761160 0.86 NOS3 (0.44) L3MBTL1MAPTPLAUNOS3NOS1
SCHEMBL30509846 0.86 L3MBTL1 (0.42) L3MBTL1MAPTPLAUNOS3NOS1
SCHEMBL27641163 0.83 IKBKB (0.51) L3MBTL1MAPTPLAUNOS3NOS1
SCHEMBL14586629 0.83 KDM4E (0.44) L3MBTL1MAPTPLAUNOS3NOS1
SCHEMBL28433486 0.83 TDP1 (0.57) L3MBTL1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29612025 0.83 KDM4E (0.51) L3MBTL1MAPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4501928-A1 THIAZOLE DERIVATIVE COMPOUND AND USES THEREOF Autotelic Bio Inc. (KR) 2025-02-05 EP claimed
WO-2024148150-A1 SUBSTITUTED SPIROCYCLIC-PYRROLOQUINAZOLINONES AND SPIROCYCLIC-PIPERIDINOQUINAZOLINONES Mirati Therapeutics, Inc. (US) 2024-07-11 WO claimed
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US claimed
WO-2024105225-A1 SYNERGISTIC COMBINATIONS OF A SIGMA RECEPTOR 1 (S1R) ANTAGONIST AND A SOLUBLE EPOXIDE HYDROLASE INHIBITOR (SEHI) AND THEIR USE IN THE TREATMENT OF PAIN UNIVERSITAT DE BARCELONA (ES) 2024-05-23 WO claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US claimed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 US claimed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US claimed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP claimed
CN-104672129-B A kind of preparation method of carbamide compounds 广东东阳光药业有限公司 2019-06-25 CN claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 L3MBTL1 3243/4885MAPT 2486/4885PLAU 3516/4885
US-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A L3MBTL1 4473/4885MAPT 2901/4885PLAU 4742/4885
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 L3MBTL1 4705/4885MAPT 4663/4885PLAU 3173/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 L3MBTL1 3243/4885MAPT 2486/4885PLAU 3516/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 L3MBTL1 4688/4885MAPT 4662/4885PLAU 3123/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A L3MBTL1 4473/4885MAPT 2901/4885PLAU 4742/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 L3MBTL1 4650/4885MAPT 4671/4885PLAU 606/4885

“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.