SCHEMBL8213573

SCHEMBL8213573

O=C(Nc1ccc2c(=O)[nH]cnc2c1)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 9/20 0.55
KDR P35968 5/20 0.55
HDAC1 Q13547 1/20 0.51
ROCK2 O75116 1/20 0.51
ALDH1A1 P00352 2/20 0.50
EPHB4 P54760 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC4 P56524 1/20 0.46
FFAR2 O15552 3/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL14003520 0.92 TEK (0.51) TEKKDRHDAC1ROCK2ALDH1A1
SCHEMBL20882116 0.90 TEK (0.55) TEKKDRHDAC1ROCK2EPHB4
SCHEMBL14003483 0.81 ROCK2 (0.59) TEKKDRHDAC1ROCK2EPHB4
SCHEMBL4003690 0.81 HDAC1 (0.53) HDAC1ROCK2ALDH1A1L3MBTL1GAA
SCHEMBL4870032 0.80 TEK (0.69) TEKKDRROCK2ALDH1A1EPHB4
SCHEMBL4869868 0.78 ROCK2 (0.43) TEKKDRROCK2ALDH1A1EPHB4
SCHEMBL4869713 0.78 ROCK2 (0.56) TEKKDRROCK2ALDH1A1EPHB4
SCHEMBL4002529 0.74 ALDH1A1 (0.52) TEKKDRROCK2ALDH1A1EPHB4
SCHEMBL4002520 0.74 ALDH1A1 (0.52) TEKKDRROCK2ALDH1A1EPHB4
SCHEMBL4866094 0.72 ALDH1A1 (0.49) TEKKDRROCK2ALDH1A1EPHB4

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 8 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-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-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
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 (5 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 TEK 917/4885KDR 1170/4885HDAC1 1711/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TEK 917/4885KDR 1170/4885HDAC1 1711/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT TEK 917/4885KDR 1170/4885HDAC1 1711/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TEK 917/4885KDR 1170/4885HDAC1 1711/4885
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 TEK 173/4885KDR 156/4885HDAC1 1768/4885

“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.