SCHEMBL4006300

SCHEMBL4006300

CC(=O)Nc1cccc2c1C(=O)N=CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CASP3 P42574 1/20 0.43
CCNE2 O96020 9/20 0.41
CCNE1 P24864 9/20 0.41
CDK2 P24941 9/20 0.41
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
AHR P35869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1612079 0.72 MAOA (0.51) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL1337358 0.70 BAZ2B (0.49) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL24632112 0.70 ALDH1A1 (0.55) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4877329 0.70 MAOA (0.49) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL4956575 0.69 MAOA (0.59) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL1273609 0.68 NPC1 (0.68) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL30002207 0.68 NPC1 (0.68) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL22904136 0.68 ALDH1A1 (0.60) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL9279689 0.68 MAOA (0.66) MAOAALDH1A1HPGDKDM4EGAA
SCHEMBL20334273 0.67 MAOA (0.90) MAOAALDH1A1HPGDKDM4EGAA

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
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 MAOA 1250/4885ALDH1A1 4263/4885HPGD 630/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAOA 1250/4885ALDH1A1 4263/4885HPGD 630/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT MAOA 1250/4885ALDH1A1 4263/4885HPGD 630/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAOA 1250/4885ALDH1A1 4263/4885HPGD 630/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAOA 1250/4885ALDH1A1 4263/4885HPGD 630/4885
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 MAOA 1495/4885ALDH1A1 2595/4885HPGD 120/4885

“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.