SCHEMBL3045557

SCHEMBL3045557

Nc1ccc(CNC(=O)Nc2ccc(-c3ccc(C(=O)O)c(N4CCCCC4)n3)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.52
HDAC1 Q13547 1/20 0.45
TRPV1 Q8NER1 3/20 0.43
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3055571 0.88 NAMPT (0.49) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3055626 0.87 NAMPT (0.48) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3051507 0.77 ATR (0.50) NAMPTHDAC1MCHR1
SCHEMBL3054387 0.76 NAMPT (0.47) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3050002 0.76 NAMPT (0.47) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3046675 0.76 NAMPT (0.46) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3046413 0.75 NAMPT (0.46) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3051247 0.75 NAMPT (0.42) NAMPTHDAC1CHRM1HTR2AMCHR1
SCHEMBL3058005 0.75 NAMPT (0.54) NAMPT
SCHEMBL3050217 0.73 HDAC1 (0.47) NAMPTHDAC1

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 84/4885TRPV1 2486/4885

“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.