SCHEMBL3632014

SCHEMBL3632014

NC(=O)c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.62
MMP13 P45452 1/20 0.62
SMAD3 P84022 1/20 0.62
KDM4E B2RXH2 3/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 3/20 0.60
ALDH1A1 P00352 2/20 0.60
F7 P08709 1/20 0.60
F3 P13726 1/20 0.60
PIN1 Q13526 1/20 0.60
PDPK1 O15530 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
APEX1 P27695 1/20 0.60
CYP2C19 P33261 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SRD5A2 P31213 2/20 0.56
MAPT P10636 1/20 0.56
DAO P14920 1/20 0.56

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
SCHEMBL1651087 0.89 MMP2 (0.66) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL1842307 0.87 SMAD3 (0.68) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL29415437 0.87 SMAD3 (0.68) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL327063 0.86 HSD17B10 (0.56) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL13386832 0.86 HRH3 (0.60) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL3640022 0.84 SMAD3 (0.51) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL1734329 0.83 PIN1 (0.65) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL6513774 0.80 PIN1 (0.61) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL6515615 0.79 PIN1 (0.59) MMP2MMP13SMAD3KDM4EHPGD
SCHEMBL6517283 0.79 HRH3 (0.59) MMP2MMP13SMAD3KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
EP-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
EP-2155675-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH Provid Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
EP-0249885-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1992-01-02 EP disclosed
EP-0234540-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-10-16 EP disclosed
US-4794101-A MIXTURE OF PHTHALIDE DYE, FLUORAN COMPOUND AND POLYVALENT METAL SALT OF AN AROMATIC CARBOXYLIC ACID KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-12-27 US disclosed
US-4731353-A METAL SALT OF INDOLE-2-CARBOXYLIC ACID COLOR DEVELOPER KANZAKI PAPER MANUFACTURING COMPANY, LIMITED (JP) 1988-03-15 US disclosed
EP-0249885-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-12-23 EP disclosed
EP-0234540-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-09-02 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 (3 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK MMP2 1486/4885MMP13 1315/4885SMAD3 2119/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA MMP2 1018/4885MMP13 1410/4885SMAD3 705/4885
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 MMP2 4022/4885MMP13 4574/4885SMAD3 1685/4885

“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.