SCHEMBL14130697

SCHEMBL14130697

CC(=O)Nc1cccc(/C=C/C(=O)N=[N+]=[N-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ATM Q13315 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RECQL P46063 2/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MMP1 P03956 3/20 0.44
▸ MMP2 P08253 3/20 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
SCHEMBL14924400 0.79 MAOA (0.50) MAPTLMNATP53RAB9ANPC1
SCHEMBL3203883 0.79 PKM (0.68) MAPTLMNATP53RAB9ANPC1
SCHEMBL3203877 0.79 PKM (0.68) MAPTLMNATP53RAB9ANPC1
SCHEMBL21892100 0.77 MAPT (0.58) MAPTLMNATP53RAB9ANPC1
SCHEMBL14130641 0.77 ALDH1A1 (0.43) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL10895023 0.76 SIRT2 (0.57) MAPTLMNATP53RAB9ANPC1
SCHEMBL13768045 0.76 NFE2L2 (0.50) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL13444198 0.76 MAOB (0.57) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL13728324 0.76 MAOB (0.57) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL17680839 0.75 ALDH1A1 (0.56) MAPTLMNATP53RAB9ANPC1

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 7 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-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 (4 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 MAPT 1764/4885LMNA 1385/4885TP53 3841/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAPT 1764/4885LMNA 1385/4885TP53 3841/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAPT 1764/4885LMNA 1385/4885TP53 3841/4885
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 MAPT 3393/4885LMNA 2110/4885TP53 4353/4885

“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.

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