SCHEMBL1086463

SCHEMBL1086463

CC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.63
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PARP10 Q53GL7 5/20 0.50
PARP15 Q460N3 2/20 0.50
ALDH1A1 P00352 1/20 0.50
FYN P06241 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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 SCHEMBL27603076 0.98 PARP1 (0.61) PARP1TSHRPOLBCYP3A4MAPT
Hydrochloric Acid SCHEMBL4369235 0.98 PARP1 (0.61) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL279656 0.88 ALDH1A1 (0.59) POLBTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL36694 0.88 PARP1 (0.73) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL31021028 0.88 PARP1 (0.73) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL16957973 0.86 PARP1 (0.63) PARP1TSHRPOLBCYP3A4MAPT
Acetic Acid SCHEMBL28255011 0.86 PARP1 (0.63) PARP1TSHRPOLBCYP3A4MAPT
Water SCHEMBL7768285 0.85 PARP1 (0.70) PARP1TSHRPOLBCYP3A4MAPT
Ammonia Solution, Strong SCHEMBL9121446 0.85 PARP1 (0.70) PARP1TSHRPOLBCYP3A4MAPT
Hydrochloric Acid SCHEMBL1367509 0.85 PARP1 (0.70) PARP1TSHRPOLBCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0208846-B1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID CO (US) 1993-11-18 EP claimed
EP-0208846-A1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1987-01-21 EP claimed
EP-0009702-B1 A PHENYLALKYLAMINOETHYLSALICYLAMIDE, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT SCHERING CORPORATION (US) 1981-11-04 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 (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-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 PARP1 208/4885TSHR 2462/4885POLB 1808/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PARP1 2549/4885TSHR 3572/4885POLB 3173/4885
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 PARP1 2516/4885TSHR 2266/4885POLB 4222/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PARP1 3673/4885TSHR 3812/4885POLB 3816/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS PARP1 4586/4885TSHR 1178/4885POLB 4287/4885

“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.