SCHEMBL211677

SCHEMBL211677

NCc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.76
HDAC3 O15379 9/20 0.76
HDAC2 Q92769 10/20 0.70
MAPK1 P28482 1/20 0.70
NCOR2 Q9Y618 3/20 0.68
PTGS1 P23219 1/20 0.63
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
NCOR1 O75376 1/20 0.61

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
SCHEMBL4463540 0.89 HDAC1 (0.66) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL8401704 0.88 HDAC1 (0.89) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL4715033 0.87 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL211107 0.87 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL3762348 0.86 HDAC1 (0.64) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL24886329 0.86 RAB9A (0.65) HDAC1HDAC3MAPK1NCOR2HDAC6
SCHEMBL2733350 0.86 HDAC1 (0.80) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL2732292 0.86 HDAC1 (0.70) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL8470457 0.86 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL13815192 0.84 HDAC1 (0.87) HDAC1HDAC3HDAC2NCOR2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
US-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-05-15 US disclosed
EP-2729450-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Cancer Research Technology Ltd (GB) 2014-05-14 EP disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
CN-101906076-B Naphthaline amide derivative serving as protein kinase inhibitor and histone deacetylase inhibitor and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES LTD 2013-03-13 CN disclosed
WO-2013005049-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed
WO-2013005049-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (2 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-20140135327-A1 N- (2 -AMINOPHENYL) BENZAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, HDAC2, HDAC1 HDAC1 3/4885HDAC3 5/4885HDAC2 2/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 5/4885HDAC2 12/4885

“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.