SCHEMBL3045603

SCHEMBL3045603

Nc1ccc(CNC(=O)Nc2ccc(-c3ncc(C(=O)O)c(NC4CC4)n3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.50
HDAC1 Q13547 4/20 0.48
PDE4B Q07343 3/20 0.40
SYK P43405 2/20 0.40
FLT3 P36888 3/20 0.39
TYRO3 Q06418 3/20 0.39
MERTK Q12866 3/20 0.39
GAS6 Q14393 3/20 0.39
CYP2C9 P11712 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
SCHEMBL3719617 0.87 NAMPT (0.41) NAMPTHDAC1SYKFLT3TYRO3
SCHEMBL3054183 0.85 NAMPT (0.52) NAMPTHDAC1PDE4BCYP2C9
SCHEMBL3048802 0.82 NAMPT (0.52) NAMPTHDAC1CYP2C9
SCHEMBL3050217 0.81 HDAC1 (0.47) NAMPTHDAC1SYKFLT3TYRO3
SCHEMBL3052778 0.79 HDAC1 (0.45) NAMPTHDAC1FLT3TYRO3MERTK
SCHEMBL3042675 0.79 NAMPT (0.45) NAMPTHDAC1SYKFLT3TYRO3
SCHEMBL3048653 0.77 TYRO3 (0.51) FLT3TYRO3MERTKGAS6
SCHEMBL3046675 0.74 NAMPT (0.46) NAMPTHDAC1FLT3TYRO3MERTK
SCHEMBL3722076 0.74 HDAC1 (0.47) NAMPTHDAC1PDE4B
SCHEMBL874763 0.73 NAMPT (0.43) NAMPTHDAC1SYKFLT3TYRO3

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 2/4885HDAC1 84/4885PDE4B 443/4885

“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.