SCHEMBL1644833

SCHEMBL1644833

Cc1ccc(C(=O)O)c(N)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 7/20 0.44
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 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
SCHEMBL2260073 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL30626464 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL26963219 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL28300921 0.85 TSHR (0.53) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL28790797 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL28194935 0.83 MAPK14 (0.47) ALDH1A1TDP1TSHRMAPTGAA
SCHEMBL2381586 0.82 TSHR (0.54) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL5314234 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL2598195 0.81 TDP1 (0.49) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL1355836 0.80 TSHR (0.51) ALDH1A1CYP3A4TDP1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102875529-B Dabigatran derivatives and preparation method thereof TIANJIN INST PHARM RESEARCH 2015-04-22 CN disclosed
CN-104356022-A Synthetic method of N-methyl-4-(methyl amino)-3-nitrobenzamide SHANGHAI INST TECHNOLOGY 2015-02-18 CN disclosed
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP disclosed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479676-A1 Benzimidazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP 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 (4 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885CYP3A4 1452/4885TDP1 1480/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885CYP3A4 1452/4885TDP1 1480/4885
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 ALDH1A1 1259/4885CYP3A4 307/4885TDP1 1683/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ALDH1A1 1157/4885CYP3A4 1245/4885TDP1 1261/4885

“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.