SCHEMBL2987177

SCHEMBL2987177

C=Cc1cccc(C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.53
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
UNG P13051 1/20 0.46
TP53 P04637 1/20 0.45
PARP10 Q53GL7 6/20 0.44
PARP15 Q460N3 4/20 0.44
PARP14 Q460N5 4/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 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
SCHEMBL30005591 1.00 PARP1 (0.53) PARP1TSHRTDP1POLBCYP3A4
SCHEMBL17064514 0.85 PARP1 (0.43) PARP1TSHRTDP1POLBCYP3A4
SCHEMBL6584943 0.85 PARP1 (0.50) PARP1TSHRTDP1POLBCYP3A4
SCHEMBL28242748 0.83 TDP1 (0.52) TSHRTDP1L3MBTL1UNGTP53
Urea SCHEMBL29001189 0.83 TDP1 (0.52) PARP1TSHRTDP1POLBUNG
SCHEMBL723945 0.82 UNG (0.68) PARP1TSHRTDP1POLBCYP3A4
SCHEMBL15036 0.82 UNG (0.68) TSHRTDP1HSD17B10UNGTP53
SCHEMBL21777904 0.82 UNG (0.68) TSHRTDP1HSD17B10UNGTP53
SCHEMBL29373775 0.82 UNG (0.68) TSHRTDP1HSD17B10UNGTP53
SCHEMBL2164103 0.82 UNG (0.47) TSHRTDP1POLBL3MBTL1UNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
CN-110387016-B Nano polymer plugging agent for drilling fluid and preparation method thereof 黑龙江益瑞化工有限公司 2020-07-28 CN disclosed
CN-110387016-A A kind of drilling fluid nanometer polymer sealing agent and preparation method thereof 黑龙江益瑞化工有限公司 2019-10-29 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
CN-101124199-A 5-substituted-2-phenylamino-benzamides as MEK inhibiting substances CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-02-13 CN disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (6 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 PARP1 2406/4885TSHR 4192/4885TDP1 1720/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 PARP1 2406/4885TSHR 4192/4885TDP1 1720/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PARP1 2549/4885TSHR 3572/4885TDP1 3717/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 PARP1 3014/4885TSHR 4010/4885TDP1 2705/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PARP1 2549/4885TSHR 3572/4885TDP1 3717/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC PARP1 4200/4885TSHR 2200/4885TDP1 1055/4885

“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.