SCHEMBL326740

SCHEMBL326740

NC(=O)c1ccn2cc(C(=O)O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.38
ALOX15 P16050 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9753536 0.89 PTGS1 (0.60) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL29379606 0.85 PTGS1 (0.50) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL22129486 0.84 PTGS1 (0.55) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL7267729 0.82 KDM4E (0.51) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL17515036 0.81 PTGS1 (0.58) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL6849869 0.79 HDAC1 (0.51) KDM4EPOLBROCK2NPC1RAB9A
SCHEMBL4348612 0.79 PTGS1 (0.60) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL327269 0.78 PTGS1 (0.54) PTGS1PTGS2KDM4EPOLBMAPT
Bromide SCHEMBL4347296 0.78 PTGS1 (0.58) PTGS1PTGS2KDM4EPOLBMAPT
SCHEMBL1759007 0.78 KDM4E (0.67) PTGS1PTGS2KDM4EPOLBMAPT

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 9 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
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-8697911-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
EP-2590950-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US 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
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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 (1 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA PTGS1 384/4885PTGS2 482/4885KDM4E 2031/4885

“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.