SCHEMBL2988913

SCHEMBL2988913

O=c1nc[nH]c2cc([N+](=O)[O-])c(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 3/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
BLM P54132 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL1507518 0.94 CA12 (0.48) CA12CA9CYP3A4NAMPTXDH
SCHEMBL11491570 0.82 MEN1 (0.46) CYP3A4NAMPTXDHMAPTTSHR
SCHEMBL16637208 0.82 CYP3A4 (0.40) CYP3A4NAMPTXDHMAPTTSHR
SCHEMBL12488897 0.80 CYP3A4 (0.41) CYP3A4NAMPTXDHMAPTTSHR
SCHEMBL3031243 0.80 CYP3A4 (0.54) CYP3A4NAMPTXDHMAPTTSHR
SCHEMBL7807548 0.79 CYP3A4 (0.40) CYP3A4NAMPTXDHMAPTTSHR
SCHEMBL29693636 0.79 CYP3A4 (0.40) CYP3A4NAMPTXDHMAPTTSHR
SCHEMBL4371995 0.79 CYP3A4 (0.40) CA12CA9CYP3A4NAMPTXDH
SCHEMBL27473853 0.76 CYP3A4 (0.54) CA12CA9CYP3A4NAMPTXDH
SCHEMBL2988917 0.76 PARP1 (0.56) CA12CA9CYP3A4NAMPTXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 US disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP disclosed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 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 (7 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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT CA12 4885/4885CA9 4615/4885CYP3A4 2991/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT CA12 4885/4885CA9 4615/4885CYP3A4 2991/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT CA12 4885/4885CA9 4615/4885CYP3A4 2991/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT CA12 4885/4885CA9 4615/4885CYP3A4 2991/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK CA12 4205/4885CA9 2749/4885CYP3A4 2603/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT CA12 4885/4885CA9 4615/4885CYP3A4 2991/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA CA12 4857/4885CA9 4511/4885CYP3A4 4054/4885

“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.