SCHEMBL1336717

SCHEMBL1336717

COc1ccc(-c2n[nH]cc2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.49
CDK2 P24941 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NLRP3 Q96P20 1/20 0.49
ERN1 O75460 2/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41

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
SCHEMBL1335295 0.83 RAB9A (0.44) KMT2AMEN1ALDH1A1CYP2A6KDM4E
SCHEMBL16201312 0.83 ALDH1A3 (0.49) CDK4CDK2KMT2AERN1MAPT
Hydrochloric Acid SCHEMBL16194267 0.81 ALDH1A3 (0.47) CDK4CDK2KMT2AERN1MAPT
SCHEMBL16223030 0.80 LMNA (0.56) ERN1ALDH1A1KDM4EMAPTLMNA
SCHEMBL4246815 0.79 PTGS2 (0.47) CDK4CDK2KMT2AMEN1ERN1
SCHEMBL4908543 0.79 ESR1 (0.41) KMT2AMEN1ERN1MAPTNPC1
SCHEMBL1335905 0.79 XDH (0.39) ERN1ALDH1A1KDM4EMAPTNPC1
SCHEMBL1335198 0.79 PTGS2 (0.45) KMT2AMEN1NLRP3ALDH1A1CYP2A6
SCHEMBL22607800 0.78 ERN1 (0.54) ERN1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4244705 0.78 ALDH1A1 (0.41) CDK4CDK2KMT2AMEN1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125829-A1 NORA INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-06-19 WO disclosed
CN-119367357-A Use of PSPH inhibitor in preparation of medicine for preventing, treating or improving nervous system diseases 中国医学科学院基础医学研究所 2025-01-28 CN disclosed
CN-113968819-B Synthesis method of polysubstituted pyrazole compound 成都普康唯新生物科技有限公司 2023-05-05 CN disclosed
CN-113968819-A Synthesis method of polysubstituted pyrazole compound 成都普赛唯新生物科技有限公司 2022-01-25 CN disclosed
US-9475831-B2 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2016-10-25 US disclosed
US-20160137677-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2016-05-19 US disclosed
US-9273074-B2 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2016-03-01 US disclosed
US-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2015-01-29 US disclosed
US-8883764-B1 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2014-11-11 US disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN disclosed
EP-1301517-B1 THIENOPYRROLIDINONES HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R CDK4 3729/4885CDK2 3739/4885KMT2A 1037/4885
US-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 CDK4 417/4885CDK2 910/4885KMT2A 2474/4885
US-20160137677-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 CDK4 417/4885CDK2 910/4885KMT2A 2474/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CDK4 943/4885CDK2 633/4885KMT2A 3363/4885
US-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A CDK4 72/4885CDK2 84/4885KMT2A 3534/4885

“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.