SCHEMBL327597

SCHEMBL327597

CCOC(=O)c1cc2ccc(C(N)=O)cc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.80
MMP2 P08253 5/20 0.80
ALOX15 P16050 1/20 0.67
HRH3 Q9Y5N1 1/20 0.61
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
RAB9A P51151 4/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
ATM Q13315 1/20 0.60
HSD17B10 Q99714 2/20 0.58
PLG P00747 1/20 0.54
PLAU P00749 1/20 0.54

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
SCHEMBL71101 0.90 ALOX15 (0.72) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL21822593 0.89 PLG (0.70) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL6517054 0.89 MMP13 (1.00) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL13387087 0.89 MMP2 (0.64) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL6417272 0.87 HRH3 (0.80) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL28676691 0.87 ALOX15 (0.68) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL14508320 0.84 ALOX15 (0.64) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL8959155 0.83 ALOX15 (0.70) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL5623372 0.82 KDM4E (0.78) MMP13MMP2ALOX15HRH3KDM4E
SCHEMBL4907791 0.81 ALOX15 (0.72) MMP13MMP2ALOX15HRH3KDM4E

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
CN-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed
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
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 MMP13 1410/4885MMP2 1018/4885ALOX15 1982/4885

“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.