SCHEMBL306304

SCHEMBL306304

COc1ccc(C(=O)NCc2cccc(N)c2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.70
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
USP2 O75604 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NR1H4 Q96RI1 1/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 1/20 0.62
ROCK1 Q13464 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL3609921 0.87 ROCK2 (0.78) ROCK2ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL28859140 0.85 NR1H4 (0.82) ROCK2ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL305398 0.85 ROCK2 (0.78) ROCK2ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL305141 0.85 ROCK2 (0.78) ROCK2ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL5337912 0.82 MMP13 (0.85) ROCK2ALDH1A1USP2LMNACYP3A4
SCHEMBL12813045 0.81 MMP13 (0.82) ROCK2ALDH1A1USP2LMNACYP3A4
SCHEMBL307847 0.80 ROCK2 (0.84) ROCK2ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL16245931 0.80 NOX4 (0.55) ROCK2ALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL15888426 0.80 ROCK2 (0.77) ROCK2ALDH1A1L3MBTL1USP2NPSR1
SCHEMBL13947201 0.80 MMP13 (0.61) ALDH1A1NR1H4LMNANPC1RAB9A

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 14 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-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 ROCK2 4/4885ALDH1A1 3661/4885L3MBTL1 2508/4885

“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.