SCHEMBL308696

SCHEMBL308696

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3nnc(CCN4CCOCC4)s3)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
RXFP1 Q9HBX9 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2D6 P10635 1/20 0.53
AHR P35869 1/20 0.53
ROCK2 O75116 6/20 0.52
CYP3A4 P08684 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
SCD O00767 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
ROCK1 Q13464 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GLS O94925 2/20 0.48

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
SCHEMBL307889 0.88 SCD (0.63) CYP2C9CYP2D6ROCK2CYP3A4SCD
SCHEMBL307001 0.83 SCD (0.60) CYP2C9CYP2D6ROCK2CYP3A4SCD
SCHEMBL307787 0.81 ROCK2 (0.57) ALDH1A1CYP2C9ROCK2CYP3A4NPSR1
SCHEMBL307572 0.80 MAPK1 (0.52) ALDH1A1CYP2C9CYP2D6ROCK2CYP3A4
SCHEMBL306482 0.78 ROCK2 (0.62) ALDH1A1CYP2C9CYP2D6ROCK2CYP3A4
SCHEMBL15888433 0.75 ROCK2 (0.51) ROCK2CYP3A4ROCK1
SCHEMBL308066 0.75 ROCK2 (0.57) CYP2C9CYP2D6ROCK2CYP3A4SCD
SCHEMBL306865 0.75 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL306866 0.75 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL308374 0.75 ROCK2 (0.72) ROCK2ROCK1

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-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP claimed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (1 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ALDH1A1 3661/4885RXFP1 553/4885CYP2C9 1606/4885

“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.