SCHEMBL307235

SCHEMBL307235

COc1ccc(NC(=O)Cc2cccc(NC(=O)c3ccc(CN(C)C)cc3)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.63
CYP3A4 P08684 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
BCHE P06276 4/20 0.62
ACHE P22303 4/20 0.62
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.55
STAT3 P40763 1/20 0.55
MCHR1 Q99705 1/20 0.54
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
EPHX2 P34913 1/20 0.53
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL307434 0.85 LMNA (0.60) ROCK2CYP3A4SMN1; SMN2KMT2ALMNA
SCHEMBL307242 0.78 ROCK2 (0.82) ROCK2CYP3A4SMN1; SMN2LMNACYP2C19
SCHEMBL306949 0.78 ROCK2 (1.00) ROCK2CYP3A4LMNACYP2C19
SCHEMBL307267 0.78 ROCK2 (0.85) ROCK2CYP3A4CYP2C19ALDH1A1
SCHEMBL15876317 0.77 SMN1; SMN2 (0.54) ROCK2SMN1; SMN2KMT2ALMNAHTT
SCHEMBL3613697 0.77 SMN1; SMN2 (0.65) ROCK2SMN1; SMN2KMT2ALMNAHTT
SCHEMBL307386 0.76 ROCK2 (0.70) ROCK2CYP3A4SMN1; SMN2KMT2ALMNA
SCHEMBL306385 0.76 ROCK2 (0.70) ROCK2CYP3A4SMN1; SMN2KMT2ALMNA
SCHEMBL306085 0.76 ROCK2 (0.70) ROCK2CYP3A4SMN1; SMN2KMT2ALMNA
SCHEMBL7872336 0.76 KMT2A (0.80) SMN1; SMN2KMT2ALMNAHTTBCHE

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 16 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
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 4/4885CYP3A4 2048/4885SMN1; SMN2 2901/4885

“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.