SCHEMBL4516262

SCHEMBL4516262

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.39
POLB P06746 1/20 0.37
CYP17A1 P05093 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NR1D1 P20393 1/20 0.35
CDC7 O00311 1/20 0.35
FAP Q12884 1/20 0.35
MMP2 P08253 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4533231 0.87 GPR142 (0.38) CYP17A1GPR142
SCHEMBL4514376 0.86 GPR142 (0.43) CYP17A1DPP4MMP2ROCK1GPR142
SCHEMBL4527459 0.86 GPR142 (0.43) CYP17A1DPP4MMP2ROCK1GPR142
SCHEMBL4517312 0.86 GPR142 (0.43) CYP17A1NPC1ROCK1GPR142
SCHEMBL4519177 0.85 GPR142 (0.46) CYP17A1NPC1SMN1; SMN2DPP4DPP7
SCHEMBL4526794 0.85 TPH1 (0.39) CYP17A1DPP4DPP7DPP8DPP9
SCHEMBL4523323 0.84 GPR142 (0.45) POLBCYP17A1DPP4DPP7DPP8
SCHEMBL4516266 0.82 NPC1 (0.39) POLBCYP17A1NPC1SMN1; SMN2NR1D1
SCHEMBL4524956 0.79 ROCK1 (0.50) CYP17A1DPP4DPP7DPP8DPP9
SCHEMBL4525695 0.78 P2RX7 (0.38) CYP17A1ROCK1

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 MC4R 2976/4885POLB 3624/4885CYP17A1 3015/4885

“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.