SCHEMBL306085

SCHEMBL306085

COc1ccc(NC(=O)Cc2cccc(NC(=O)c3ccc4c(c3)CN(C)CC4)c2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.70
CYP3A4 P08684 1/20 0.70
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ABCB1 P08183 2/20 0.54
ABCG2 Q9UNQ0 2/20 0.54
KMT2A Q03164 2/20 0.53
ROCK1 Q13464 1/20 0.51
NAMPT P43490 1/20 0.50
PRKG1 Q13976 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL306811 0.86 ROCK2 (0.88) ROCK2CYP3A4ROCK1PRKG1
SCHEMBL15876245 0.86 ROCK2 (0.54) ROCK2CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL306385 0.84 ROCK2 (0.70) ROCK2CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL306850 0.84 ROCK2 (0.84) ROCK2CYP3A4ROCK1PRKG1
SCHEMBL6293571 0.84 ROCK2 (0.77) ROCK2CYP3A4SMN1; SMN2ABCB1ABCG2
SCHEMBL307386 0.82 ROCK2 (0.70) ROCK2CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL306795 0.82 ROCK2 (1.00) ROCK2CYP3A4ROCK1PRKG1
SCHEMBL307157 0.77 ROCK2 (0.87) ROCK2CYP3A4ROCK1PRKG1
SCHEMBL307714 0.77 ROCK2 (0.87) ROCK2CYP3A4ROCK1PRKG1
SCHEMBL307676 0.77 ROCK2 (0.89) ROCK2CYP3A4ROCK1PRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
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
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 2048/4885LMNA 2642/4885

“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.