SCHEMBL306883

SCHEMBL306883

COc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(CN(C)C)o3)c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.69
CYP3A4 P08684 3/20 0.69
CYP2C19 P33261 1/20 0.59
MAPT P10636 1/20 0.52
SENP5 Q96HI0 1/20 0.51
SENP2 Q9HC62 1/20 0.51
SENP1 Q9P0U3 1/20 0.51
LMNA P02545 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
PRKG1 Q13976 1/20 0.51
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL15876295 0.88 ROCK2 (0.60) ROCK2CYP3A4CYP2C19SENP5SENP2
SCHEMBL307267 0.85 ROCK2 (0.85) ROCK2CYP3A4CYP2C19SENP5SENP2
SCHEMBL307434 0.83 LMNA (0.60) ROCK2CYP3A4MAPTLMNAMAPK1
SCHEMBL306949 0.82 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LMNANR1H4
SCHEMBL307791 0.77 ROCK2 (0.72) ROCK2CYP3A4CYP2C19SENP5SENP2
SCHEMBL308121 0.76 ROCK2 (0.82) ROCK2CYP3A4CYP2C19LMNANR1H4
SCHEMBL306845 0.75 ROCK2 (0.60) ROCK2CYP3A4SENP5SENP2SENP1
SCHEMBL307149 0.74 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PRKG1
SCHEMBL307242 0.74 ROCK2 (0.82) ROCK2CYP3A4CYP2C19LMNAPRKG1
SCHEMBL307847 0.74 ROCK2 (0.84) ROCK2CYP3A4CYP2C19LMNANR1H4

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 2048/4885CYP2C19 1265/4885

“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.