SCHEMBL311565

SCHEMBL311565

Cc1cccc(C)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
POLB P06746 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.43
EPHB4 P54760 2/20 0.42
MYC P01106 1/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL2540273 0.86 PARP1 (0.46) PARP1TDP1L3MBTL1ALDH1A1MYC
SCHEMBL689849 0.86 CD44 (0.48) PARP1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL30788037 0.86 THRB (0.52) PARP1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3713424 0.86 THRB (0.52) PARP1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3716308 0.84 ALDH1A1 (0.44) PARP1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL1397518 0.84 TSHR (0.51) POLBALDH1A1EPHB4TSHRHSD17B10
SCHEMBL1808389 0.84 PARP1 (0.39) PARP1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL27928402 0.84 PARP1 (0.39) PARP1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL6677410 0.84 MYC (0.48) PARP1EPHB4MYCHSD17B10HPGD
SCHEMBL4914457 0.84 CES2 (0.52) PARP1TDP1L3MBTL1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP claimed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN claimed
CN-105263900-B Hydroxy ethylene derivatives for the treatment of arthrosis 默克专利股份公司 2020-09-22 CN claimed
CN-105143201-B Benzyl amine derivative 卡尔维斯塔制药有限公司 2019-02-22 CN claimed
US-10202418-B2 Hydroxy-ethylene derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2019-02-12 US claimed
EP-3008037-B1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2018-09-26 EP claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
WO-2005080390-A1 IMIDAZOPYRIDINE DERIVATIVES AS BSR-3 ANTAGONISTS BIOFOCUS DISCOVERY LTD (GB) 2005-09-01 WO claimed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US claimed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO claimed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 US claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 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 (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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 PARP1 818/4885POLB 2394/4885TDP1 752/4885
US-10202418-B2 Hydroxy-ethylene derivatives for the treatment of arthrosis CTSD, CTSE, CTSB PARP1 2377/4885POLB 3202/4885TDP1 1368/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG PARP1 3297/4885POLB 4297/4885TDP1 3630/4885
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY PARP1 1077/4885POLB 3862/4885TDP1 1751/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A PARP1 537/4885POLB 946/4885TDP1 570/4885

“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.