SCHEMBL4529314

SCHEMBL4529314

CC(C)(C)N(CC(=O)N(CC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.42
ROCK1 Q13464 6/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
STAT3 P40763 1/20 0.38
WNT3A P56704 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL4520971 0.85 ROCK2 (0.52) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4533610 0.83 ROCK2 (0.48) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4518662 0.82 ROCK2 (0.47) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4531740 0.82 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4525610 0.81 CYP17A1 (0.49) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4526918 0.80 HPGD (0.46) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4525619 0.79 ROCK2 (0.44) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4535752 0.77 ROCK2 (0.51) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4534742 0.74 ROCK2 (0.51) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL27723719 0.74 CYP17A1 (0.49) ROCK2ROCK1MEN1KMT2ASMN1; SMN2

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885MEN1 1542/4885

“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.