SCHEMBL8205774

SCHEMBL8205774

COc1cc(C(=O)NCC(OC)OC)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.50
HTR4 Q13639 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.48
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
SMPD1 P17405 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL14748373 0.86 SMPD1 (0.61) TDP1MAPK1ALDH1A1KDM4EGAA
SCHEMBL15650274 0.86 HTR4 (0.49) TDP1MAPK1ALDH1A1KDM4EHTR4
SCHEMBL13175567 0.86 SMPD1 (0.61) TDP1MAPK1ALDH1A1KDM4EGAA
SCHEMBL12894002 0.86 SMPD1 (0.61) TDP1MAPK1ALDH1A1KDM4EGAA
SCHEMBL30871200 0.84 SMPD1 (0.50) TDP1MAPK1KDM4EPOLBGAA
SCHEMBL13175547 0.84 HRH1 (0.53) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL30398755 0.83 TDP1 (0.65) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL21070563 0.83 TDP1 (0.65) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL22460499 0.83 TDP1 (0.65) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL10084691 0.83 TDP1 (0.52) TDP1MAPK1ALDH1A1KDM4EMAPT

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 12 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-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-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-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-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 TDP1 866/4885MAPK1 137/4885ALDH1A1 4263/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TDP1 866/4885MAPK1 137/4885ALDH1A1 4263/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT TDP1 866/4885MAPK1 137/4885ALDH1A1 4263/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT TDP1 866/4885MAPK1 137/4885ALDH1A1 4263/4885
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 TDP1 1921/4885MAPK1 149/4885ALDH1A1 2595/4885

“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.