SCHEMBL14130641

SCHEMBL14130641

CC(=O)Nc1cc(/C=C/C(=O)N=[N+]=[N-])ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PYGL P06737 3/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3225481 0.80 AKR1C3 (0.58) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL3225479 0.80 AKR1C3 (0.58) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL21892378 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL15646507 0.77 CXCL12 (0.48) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL15646509 0.77 CXCL12 (0.48) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL14130697 0.77 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTMMP1
SCHEMBL30707812 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL9649413 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL14420555 0.70 MAPT (0.51) ALDH1A1KMT2AHPGDMAPTMMP1
SCHEMBL14416201 0.70 MAPT (0.51) ALDH1A1KMT2AHPGDMAPTMMP1

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 ALDH1A1 4263/4885MEN1 3639/4885KMT2A 3349/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ALDH1A1 4263/4885MEN1 3639/4885KMT2A 3349/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ALDH1A1 4263/4885MEN1 3639/4885KMT2A 3349/4885
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 ALDH1A1 2595/4885MEN1 2638/4885KMT2A 3397/4885

“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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