SCHEMBL2908487

SCHEMBL2908487

CC(CN)NS(=O)(=O)c1cccc2c(O)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.41
CYP1A2 P05177 2/20 0.40
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
NR3C1 P04150 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NSD2 O96028 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
FPR2 P25090 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 1/20 0.36
CSNK1A1 P48729 1/20 0.36
MYLK Q15746 1/20 0.36
F2 P00734 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 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
SCHEMBL2905215 0.85 EDNRA (0.41) EDNRACYP1A2ALOX5APFEN1NR3C1
SCHEMBL2906692 0.84 EDNRA (0.37) EDNRAALOX5APFEN1NR3C1KDM4E
SCHEMBL9829691 0.82 CYP1A2 (0.37) EDNRACYP1A2KDM4EHSD17B10TSHR
SCHEMBL9829214 0.78 NSD2 (0.39) EDNRACYP1A2ALOX5APFEN1KDM4E
SCHEMBL2905594 0.78 NSD2 (0.39) EDNRACYP1A2ALOX5APFEN1KDM4E
SCHEMBL2907363 0.78 CYP3A4 (0.60) CYP1A2KDM4EHSD17B10NSD2TSHR
SCHEMBL2902000 0.78 MEN1 (0.38) EDNRACYP1A2TSHRCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9829072 0.77 CYP3A4 (0.61) CYP1A2KDM4EHSD17B10NSD2TSHR
SCHEMBL7431693 0.76 PRKCG (0.63) CYP1A2NR3C1TSHRCYP3A4CYP2D6
SCHEMBL2905158 0.75 CYP3A4 (0.63) CYP1A2KDM4EHSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479386-A1 Use of isoquinoline-derivatives for treating and preventing pigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2004-11-24 EP claimed
EP-0956865-B2 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2010-08-18 EP disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
EP-0956865-B1 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI PHARMA CORP (JP) 2007-04-18 EP disclosed
US-6906061-B2 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2005-06-14 US disclosed
EP-1479386-A1 Use of isoquinoline-derivatives for treating and preventing pigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2004-11-24 EP disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed
US-20030134775-A1 Pharmaceutical agent containing Rho kinase inhibitor UEHATA MASAYOSHI (JP) 2003-07-17 US disclosed
US-6451825-B1 FOR THERAPY OF HYPERTENSION, A THERAPEUTIC AGENT OF ANGINA PECTORIS, A SUPPRESSIVE AGENT OF CEREBROVASCULAR CONTRACTION, ASTHMA, PERIPHERAL CIRCULATION DISORDER, AS PROPHYLACTIC AGENT OF IMMATURE BIRTH, A THERAPEUTIC AGENT OF ARTERIOSCLEROSIS MITSUBISHI PHARMA CORPORATION (JP) 2002-09-17 US disclosed
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2002-03-14 US disclosed
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP disclosed
US-5747507-A MYOCARDIAL DISEASE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-05-05 US disclosed
EP-0654266-A1 CARDIAC PROTECTIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-05-24 EP disclosed
EP-0187371-B1 SUBSTITUTED ISOQUINOLINESULFONYL COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-06-19 EP disclosed
US-4678783-A CARDIOVASCULAR DISORDERS, HYPOTENSIVES, ARTERIOSCLEROSIS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-07-07 US disclosed
EP-0187371-A2 Substituted isoquinolinesulfonyl compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-16 EP 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 (3 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-20030134775-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA EDNRA 551/4885CYP1A2 2887/4885ALOX5AP 1198/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA EDNRA 133/4885CYP1A2 3990/4885ALOX5AP 3304/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA EDNRA 551/4885CYP1A2 2887/4885ALOX5AP 1198/4885

“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.