SCHEMBL16495367

SCHEMBL16495367

CC(C)(CO)CNC(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
GABRA5 P31644 5/20 0.48
BAZ2B Q9UIF8 1/20 0.44
WNT3A P56704 3/20 0.43
BUB1 O43683 1/20 0.43
CYP2C9 P11712 1/20 0.43
PRKACG P22612 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ACSL5 Q9ULC5 1/20 0.43
STK24 Q9Y6E0 1/20 0.43
HTR2C P28335 1/20 0.42
MCHR1 Q99705 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL16495688 0.88 HPGDS (0.53) HPGDSGABRA5BAZ2BWNT3ABUB1
SCHEMBL16495480 0.86 HPGDS (0.55) HPGDSGABRA5BAZ2BWNT3ABUB1
SCHEMBL16495991 0.83 HPGDS (0.57) HPGDSGABRA5BAZ2BWNT3AHTR2C
SCHEMBL16496233 0.82 HPGDS (0.58) HPGDSGABRA5BAZ2BWNT3AEGLN1
SCHEMBL16496238 0.81 HPGDS (0.60) HPGDSGABRA5BAZ2BWNT3ACYP2C9
SCHEMBL13572932 0.81 HPGDS (0.60) HPGDSGABRA5BAZ2BWNT3AHTR2C
SCHEMBL16495815 0.81 HPGDS (0.60) HPGDSGABRA5BAZ2BWNT3AEGLN1
SCHEMBL16496227 0.81 HPGDS (0.54) HPGDSGABRA5BAZ2BWNT3A
SCHEMBL16496130 0.80 ALDH1A1 (0.54) HPGDSWNT3AMCHR1
SCHEMBL16495483 0.80 HPGDS (0.58) HPGDSGABRA5BAZ2BWNT3ACYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885GABRA5 1938/4885BAZ2B 1779/4885

“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.