SCHEMBL4528957

SCHEMBL4528957

CC(C)(C)N(C(=O)O)[C@@H](Cc1cccs1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
USP30 Q70CQ3 2/20 0.43
AAK1 Q2M2I8 1/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 5/20 0.40
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL4520956 1.00 LMNA (0.44) LMNAALDH1A1RECQLUSP30AAK1
SCHEMBL4525453 0.85 ROCK2 (0.53) LMNAALDH1A1AAK1RAB9ANPC1
SCHEMBL4525931 0.85 ROCK2 (0.53) LMNAALDH1A1AAK1RAB9ANPC1
SCHEMBL4524714 0.80 GPR142 (0.46) AAK1ROCK2ROCK1
SCHEMBL4525866 0.80 GPR142 (0.46) AAK1ROCK2ROCK1
SCHEMBL17783133 0.80 AAK1 (0.60) AAK1ROCK2ROCK1
SCHEMBL17783135 0.80 AAK1 (0.60) AAK1ROCK2ROCK1
SCHEMBL4518039 0.78 AAK1 (0.60) LMNAALDH1A1RECQLAAK1RAB9A
SCHEMBL27723723 0.78 AAK1 (0.60) LMNAALDH1A1RECQLAAK1RAB9A
SCHEMBL4512018 0.78 AAK1 (0.60) LMNAALDH1A1RECQLAAK1RAB9A

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 LMNA 3083/4885ALDH1A1 3985/4885RECQL 2272/4885

“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.