SCHEMBL3048655

SCHEMBL3048655

CCNc1cc(-c2ccc(NC(=O)NCc3cnc(N)c(C)c3)cc2)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
MAPKAPK2 P49137 4/20 0.41
ROCK2 O75116 6/20 0.41
KDR P35968 1/20 0.40
ROCK1 Q13464 1/20 0.40
RORC P51449 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MCL1 Q07820 1/20 0.38
CYP2C9 P11712 1/20 0.38
ACLY P53396 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
SCHEMBL3061231 0.87 NAMPT (0.53) NAMPTROCK2ROCK1RORCMKNK1
SCHEMBL3649687 0.80 POLB (0.60) NAMPTMKNK1MKNK2CYP2C9
SCHEMBL3723767 0.75 NAMPT (0.43) NAMPTMKNK1MKNK2
SCHEMBL3048802 0.72 NAMPT (0.52) NAMPTROCK2ROCK1RORCCYP2C9
SCHEMBL3048779 0.72 ATR (0.45) NAMPT
SCHEMBL3056014 0.71 NAMPT (0.61) NAMPTMKNK1MKNK2
SCHEMBL3054183 0.69 NAMPT (0.52) NAMPTMAPKAPK2KDRRORCCYP2C9
SCHEMBL874891 0.66 HDAC1 (0.50) NAMPTROCK2
SCHEMBL8193358 0.65 ALDH1A1 (0.51) CYP2C9
SCHEMBL3127087 0.64 ROCK2 (0.73) NAMPTROCK2KDRROCK1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US claimed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 NAMPT 2/4885MAPKAPK2 3553/4885ROCK2 1800/4885

“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.