SCHEMBL2902000

SCHEMBL2902000

CCCCCC(N)C(C)NS(=O)(=O)c1cccc2c(O)nccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPV1 Q8NER1 1/20 0.34
EDNRA P25101 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL9829691 0.81 CYP1A2 (0.37) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL8673967 0.80 CYP3A4 (0.37) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL2908487 0.78 EDNRA (0.41) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL2911120 0.76 MEN1 (0.33) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL9829214 0.76 NSD2 (0.39) MEN1TP53CYP1A2CYP3A4CYP2C19
SCHEMBL2905594 0.73 NSD2 (0.39) MEN1TP53CYP1A2CYP3A4CYP2C19
SCHEMBL2910538 0.73 CYP3A4 (0.56) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL2937044 0.73 ALOX15 (0.51) MEN1TP53CYP1A2CYP3A4TSHR
SCHEMBL2905415 0.73 CYP3A4 (0.49) MEN1TP53CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL9832193 0.72 CYP3A4 (0.55) MEN1TP53CYP1A2CYP3A4TSHR

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 15 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

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 MEN1 550/4885TP53 3352/4885CYP1A2 2887/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA MEN1 1552/4885TP53 3793/4885CYP1A2 3990/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA MEN1 550/4885TP53 3352/4885CYP1A2 2887/4885

“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.