SCHEMBL1412911

SCHEMBL1412911

NC(=O)Cc1ccccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
CFD P00746 3/20 0.58
F11 P03951 3/20 0.58
TPSB2 P20231 3/20 0.58
PLG P00747 1/20 0.58
PLAU P00749 1/20 0.58
KLKB1 P03952 1/20 0.58
F7 P08709 1/20 0.58
HTT P42858 1/20 0.57
PTGER1 P34995 3/20 0.55
PTGER4 P35408 3/20 0.55
PTGER3 P43115 3/20 0.55
PTGER2 P43116 3/20 0.55
FOLH1 Q04609 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
Methane SCHEMBL22289610 0.98 HTR1A (0.57) HTR1ADRD2CFDF11TPSB2
SCHEMBL1462035 0.88 HTR1A (0.57) HTR1ADRD2CFDF11TPSB2
SCHEMBL31757878 0.88 HTR1A (0.57) HTR1ADRD2CFDF11TPSB2
SCHEMBL31757965 0.88 CFD (0.68) HTR1ADRD2CFDF11TPSB2
SCHEMBL1007508 0.88 CFD (0.68) HTR1ADRD2CFDF11TPSB2
SCHEMBL68571 0.85 L3MBTL1 (0.69) HTR1ADRD2CFDF11TPSB2
SCHEMBL29291239 0.84 GAA (0.54) HTR1ADRD2CFDF11TPSB2
SCHEMBL16397532 0.84 CFD (0.56) CFDF11TPSB2PLGPLAU
SCHEMBL9732671 0.84 PTGER1 (0.57) CFDF11TPSB2PLGPLAU
SCHEMBL8324677 0.83 L3MBTL1 (0.64) HTR1ADRD2CFDF11TPSB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004056744-A1 ADAMANTYL ACETAMIDES AS HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO claimed
EP-1448535-B1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-03-16 EP disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
WO-2007075414-A2 CHEMICALLY DERIVATIZED CD4 AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-05 WO disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 US disclosed
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2006-03-16 US disclosed
EP-1448535-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-08-25 EP disclosed
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
US-20030186981-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2003-10-02 US disclosed
WO-2003042191-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-22 WO disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20030186981-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 HTR1A 465/4885DRD2 4400/4885CFD 4726/4885
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 HTR1A 3485/4885DRD2 3078/4885CFD 526/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 HTR1A 452/4885DRD2 3386/4885CFD 4596/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP HTR1A 2279/4885DRD2 1398/4885CFD 3834/4885
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 HTR1A 4182/4885DRD2 4781/4885CFD 562/4885

“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.