SCHEMBL5089604

SCHEMBL5089604

CNC(C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
PDGFRA P16234 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
AURKB Q96GD4 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
ALOX5 P09917 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 3/20 0.44
CTSD P07339 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 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
SCHEMBL10090088 1.00 LMNA (0.44) LMNACYP3A4CYP2C9PDGFRAMAPK1
SCHEMBL12797154 1.00 LMNA (0.44) LMNACYP3A4CYP2C9PDGFRAMAPK1
Hydrochloric Acid SCHEMBL6604933 0.96 KMT2A (0.44) LMNACYP3A4CYP2C9PDGFRAMAPK1
SCHEMBL1712339 0.83 CYP2D6 (0.50) LMNACYP3A4CYP2C9MAPK1KMT2A
SCHEMBL5225847 0.83 CYP2D6 (0.50) LMNACYP3A4CYP2C9MAPK1KMT2A
SCHEMBL1964866 0.83 CYP2D6 (0.50) LMNACYP3A4CYP2C9MAPK1KMT2A
SCHEMBL11220051 0.82 MAPT (0.56) LMNACYP3A4CYP2C9MAPK1KMT2A
SCHEMBL15787344 0.82 LMNA (0.47) LMNAALOX5CYP2C19ALDH1A1CNR1
SCHEMBL15787297 0.82 LMNA (0.47) LMNAALOX5CYP2C19ALDH1A1CNR1
SCHEMBL6275744 0.81 KMT2A (0.45) LMNACYP3A4CYP2C9MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP 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
CN-102596913-A Cannabinoid receptor modulators ARENA PHARM INC 2012-07-18 CN disclosed
CN-1880304-B Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER 2010-11-24 CN disclosed
CN-1522246-B Triamide-substituted indoles, benzofurans and benzothiophenes PFIZER 2010-04-21 CN disclosed
CN-100465158-C Amino-substituted ethylamino beta2-adrenergic receptor agonists THERAVANCE INC (US) 2009-03-04 CN 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
CN-1880304-A Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER (US) 2006-12-20 CN disclosed
CN-1856465-A Amino-substituted ethylamino beta2-adrenergic receptor agonists THERAVANCE INC (US) 2006-11-01 CN disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
CN-1522246-A Triamide-substituted indoles, benzofurans and benzothiophenes as inhibitors of microsomal triglyceride transfer protein (MTP) and/or apolipoprotein B (APO B) secretion �Ʒ� 2004-08-18 CN disclosed
EP-1404653-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION Pfizer Products Inc. (US) 2004-04-07 EP disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 WO disclosed
EP-1089749-A4 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-04-11 EP disclosed
EP-1089749-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS Advanced Medicine, Inc. (US) 2001-04-11 EP disclosed
WO-1999064045-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE, INC. (US) 1999-12-16 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 LMNA 1385/4885CYP3A4 2991/4885CYP2C9 3420/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT LMNA 1385/4885CYP3A4 2991/4885CYP2C9 3420/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT LMNA 1385/4885CYP3A4 2991/4885CYP2C9 3420/4885
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 LMNA 2110/4885CYP3A4 4054/4885CYP2C9 4011/4885

“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.