SCHEMBL10196239

SCHEMBL10196239

COc1ccc(C(=O)NCc2cccc(C(N)=O)c2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.67
LMNA P02545 1/20 0.62
ROCK1 Q13464 2/20 0.61
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
MMP13 P45452 1/20 0.55
F10 P00742 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53

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 0.90 ROCK2 (0.78) ROCK2LMNAROCK1CYP3A4CYP2C9
SCHEMBL10198258 0.87 ROCK2 (0.67) ROCK2LMNAROCK1CYP3A4CYP2C9
SCHEMBL305398 0.81 ROCK2 (0.78) ROCK2LMNAROCK1CYP3A4CYP2C9
SCHEMBL305141 0.81 ROCK2 (0.78) ROCK2LMNAROCK1CYP3A4CYP2C9
SCHEMBL307152 0.80 ROCK2 (1.00) ROCK2LMNAROCK1CYP3A4SMN1; SMN2
SCHEMBL1719761 0.79 MAPK1 (0.58) LMNACYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL7681303 0.79 LMNA (0.90) LMNAALDH1A1NR1H4SMN1; SMN2
SCHEMBL306304 0.78 ROCK2 (0.70) ROCK2LMNAROCK1CYP3A4CYP2C9
SCHEMBL307259 0.78 ROCK2 (0.73) ROCK2CYP3A4SMN1; SMN2
SCHEMBL13947481 0.77 MMP13 (0.60) ROCK2LMNAROCK1MMP13F10

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 2 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-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US 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 4/4885LMNA 2642/4885ROCK1 2/4885

“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.