SCHEMBL306845

SCHEMBL306845

COc1ccc(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.60
CYP3A4 P08684 3/20 0.57
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
LMNA P02545 1/20 0.55
SENP5 Q96HI0 1/20 0.54
SENP2 Q9HC62 1/20 0.54
SENP1 Q9P0U3 1/20 0.54
CYP2C9 P11712 1/20 0.54
ROCK1 Q13464 1/20 0.54
PRKG1 Q13976 1/20 0.54
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL10160157 0.84 SENP1 (0.55) ALDH1A1NR1H4LMNASENP5SENP2
SCHEMBL13623005 0.83 SENP1 (0.52) ALDH1A1NR1H4LMNASENP5SENP2
SCHEMBL7230285 0.82 L3MBTL1 (0.47) ROCK2ALDH1A1L3MBTL1NR1H4LMNA
SCHEMBL307791 0.81 ROCK2 (0.72) ROCK2CYP3A4ALDH1A1USP2NPSR1
SCHEMBL8111481 0.81 ALDH1A1 (0.60) CYP3A4ALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL31396734 0.81 MMP13 (0.62) ROCK2CYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL30848495 0.81 AURKA (0.49) ALDH1A1NPSR1L3MBTL1LMNASENP5
SCHEMBL13923460 0.81 PPARG (0.49) ALDH1A1L3MBTL1NR1H4LMNASENP1
SCHEMBL306605 0.80 ROCK2 (0.64) ROCK2CYP3A4LMNASENP5SENP2
SCHEMBL307267 0.79 ROCK2 (0.85) ROCK2CYP3A4ALDH1A1SENP5SENP2

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 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
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 2048/4885ALDH1A1 3661/4885

“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.