SCHEMBL44303

SCHEMBL44303

O=c1cnc(=O)c2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
TNKS2 Q9H2K2 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.47
PARP1 P09874 5/20 0.45
GPR3 P46089 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TNKS O95271 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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 SCHEMBL5152269 0.98 CYP1A2 (0.48) CYP1A2TNKS2CYP2C19ALDH1A1KDM4E
SCHEMBL6617112 0.88 KDM4E (0.46) CYP1A2TNKS2CYP2C19ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL8836855 0.86 ADORA3 (0.42) CYP1A2TNKS2CYP2C19ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL8837041 0.86 ADORA3 (0.42) CYP1A2TNKS2CYP2C19ALDH1A1KDM4E
SCHEMBL28361326 0.81 CYP1A2 (0.36) CYP1A2TNKS2CYP2C19ALDH1A1KDM4E
SCHEMBL11761275 0.81 ALDH1A1 (0.56) CYP1A2TNKS2ALDH1A1KDM4EHPGD
SCHEMBL6614517 0.78 TNKS2 (0.49) TNKS2HPGDSMN1; SMN2HTTMAPK1
SCHEMBL6616116 0.76 RPS6KA3 (0.50) ALDH1A1HPGDLMNAMAPK1HSD17B10
SCHEMBL29396007 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL37862 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267539-A1 HISTONE DEACETYLASE INHIBITORS The University of Queensland (AU) 2023-11-01 EP claimed
WO-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 WO claimed
EP-3761978-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2021-01-13 EP claimed
WO-2019173804-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2019-09-12 WO claimed
EP-3344275-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2018-07-11 EP claimed
WO-2017040990-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2017-03-09 WO claimed
EP-2726466-A1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-05-07 EP claimed
WO-2013006485-A1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-01-10 WO claimed
EP-1824518-A2 DIAGNOSIS OF HYPERINSULINEMIA AND TYPE II DIABETES AND PROTECTION AGAINST SAME BASED ON PROTEINS DIFFERENTIALLY EXPRESSED IN SERUM Ohio University (US) 2007-08-29 EP claimed
EP-1617807-A4 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP claimed
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction ORTHO-MCNEIL PHARMACEUTICAL, INC. 2005-10-13 US claimed
US-20050069951-A1 Identification of drugs using complementary combinatorial libraries FOWLKES DANA M (US) 2005-03-31 US claimed
WO-2004096134-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
WO-2001030769-A2 PROCESS FOR ALKYLATION OF BENZODIAZEPINDIONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-05-03 WO claimed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP claimed
US-5962337-A ATTACHING AMINO-PROTECTED ALPHA AMINOACID WHICH MAY BE N-ALKYLATED TO SOLID SUPPORT VIA CARBOXYL GROUP, CLEAVING AMINO PROTECTING GROUP, ACYLATING WITH 2-AZIDOBENZOYL CHLORIDE, CYCLIZING VIA AZA-WITTIG RING CLOSURE PHARMACOPEIA, INC. (US) 1999-10-05 US claimed
EP-0850238-A4 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA INC (US) 1998-10-07 EP claimed
EP-0850238-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1998-07-01 EP claimed
WO-1997001560-A1 COMBINATORIAL 1,4-BENZODIAZEPIN-2,5-DIONE LIBRARY PHARMACOPEIA, INC. (US) 1997-01-16 WO claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP 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 (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-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction TP53, MDM2, TP53BP1 CYP1A2 4408/4885TNKS2 216/4885CYP2C19 4730/4885

“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.