SCHEMBL3058841

SCHEMBL3058841

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(NC(=O)OC(C)(C)C)nc3)cc2)ccc1C(=O)N(CC)N1CC(C)OC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
HDAC1 Q13547 2/20 0.44
MAPKAPK2 P49137 3/20 0.36
MTOR P42345 4/20 0.36
PIK3CA P42336 1/20 0.36
CYP2C9 P11712 1/20 0.35
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ATM Q13315 1/20 0.32
CHRM1 P11229 1/20 0.32
S1PR2 O95136 1/20 0.31
GRIN2B Q13224 1/20 0.31
SREBF2 Q12772 1/20 0.31
PIK3R1 P27986 1/20 0.31
ATR Q13535 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL3654682 0.90 NAMPT (0.55) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL3053312 0.88 NAMPT (0.48) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL3058838 0.86 NAMPT (0.47) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL3058833 0.86 NAMPT (0.47) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL485951 0.80 NAMPT (0.45) NAMPTHDAC1MTORPIK3CAATM
SCHEMBL3048972 0.78 NAMPT (0.55) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL3045564 0.77 NAMPT (0.56) NAMPTHDAC1MAPKAPK2ATMCHRM1
SCHEMBL3045731 0.77 NAMPT (0.54) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL3053311 0.76 NAMPT (0.48) NAMPTHDAC1MAPKAPK2MTORPIK3CA
SCHEMBL3055649 0.73 NAMPT (0.41) NAMPTHDAC1MTORCYP2C9

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-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

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 2/4885HDAC1 84/4885MAPKAPK2 3553/4885

“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.