SCHEMBL5087696

SCHEMBL5087696

NC(=O)c1cccnc1Sc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
ATM Q13315 1/20 0.59
ALDH1A1 P00352 6/20 0.57
GAA P10253 2/20 0.57
SIRT1 Q96EB6 2/20 0.57
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
PARP1 P09874 1/20 0.47
CYP2C9 P11712 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 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
SCHEMBL28040764 0.87 ALDH1A1 (0.55) SMN1; SMN2ATMALDH1A1GAASIRT1
SCHEMBL2295833 0.86 ALDH1A1 (0.74) SMN1; SMN2ATMALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL7110024 0.85 ALDH1A1 (0.77) SMN1; SMN2ATMALDH1A1GAAKMT2A
SCHEMBL7110016 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ATMALDH1A1GAAKMT2A
SCHEMBL6831129 0.79 ALDH1A1 (0.51) SMN1; SMN2ATMALDH1A1GAAKMT2A
SCHEMBL1327237 0.77 KMT2A (0.56) ALDH1A1KMT2APARP1NPC1RAB9A
SCHEMBL13680415 0.75 SMN1; SMN2 (0.55) SMN1; SMN2ATMALDH1A1GAAKMT2A
SCHEMBL7577192 0.74 ALDH1A1 (0.97) SMN1; SMN2ATMALDH1A1GAAKMT2A
SCHEMBL7108755 0.74 ALDH1A1 (0.71) SMN1; SMN2ATMALDH1A1GAAKMT2A
SCHEMBL5717691 0.74 CRHBP (0.68) SMN1; SMN2ATMALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US 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 SMN1; SMN2 3382/4885ATM 1329/4885ALDH1A1 4263/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 SMN1; SMN2 1477/4885ATM 1504/4885ALDH1A1 2036/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT SMN1; SMN2 3382/4885ATM 1329/4885ALDH1A1 4263/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT SMN1; SMN2 3382/4885ATM 1329/4885ALDH1A1 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 SMN1; SMN2 3364/4885ATM 991/4885ALDH1A1 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.