SCHEMBL3058833

SCHEMBL3058833

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(NC(=O)OC(C)(C)C)nc3)cc2)ccc1C(=O)NCCN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.47
HDAC1 Q13547 2/20 0.44
CD274 Q9NZQ7 1/20 0.39
CYP2C9 P11712 1/20 0.37
MAPKAPK2 P49137 2/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
MERTK Q12866 1/20 0.33
JAK2 O60674 1/20 0.33
GRIN2B Q13224 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3058838 1.00 NAMPT (0.47) NAMPTHDAC1CD274CYP2C9MAPKAPK2
SCHEMBL3048972 0.90 NAMPT (0.55) NAMPTHDAC1CD274MAPKAPK2PIK3CA
SCHEMBL3053311 0.88 NAMPT (0.48) NAMPTHDAC1CD274MAPKAPK2PIK3CA
SCHEMBL3055649 0.87 NAMPT (0.41) NAMPTHDAC1CYP2C9MTORTGFBR1
SCHEMBL3058841 0.86 NAMPT (0.46) NAMPTHDAC1CYP2C9MAPKAPK2PIK3CA
SCHEMBL3053090 0.80 NAMPT (0.47) NAMPTJAK2POLB
SCHEMBL3051338 0.80 NAMPT (0.48) NAMPTPOLB
SCHEMBL3045731 0.80 NAMPT (0.54) NAMPTHDAC1MAPKAPK2PIK3CAMTOR
SCHEMBL485950 0.80 NAMPT (0.45) NAMPTHDAC1CD274JAK2
SCHEMBL3055634 0.79 NAMPT (0.47) NAMPTJAK2POLB

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 84/4885CD274 3104/4885

“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.