SCHEMBL3048802

SCHEMBL3048802

Nc1ccc(CNC(=O)Nc2ccc(-c3ccc(C(=O)O)c(NC4CC4)c3)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.52
HDAC1 Q13547 5/20 0.52
ROCK2 O75116 4/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ROCK1 Q13464 1/20 0.40
RORC P51449 1/20 0.40
CYP2C9 P11712 1/20 0.39
IDO1 P14902 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 0.85 NAMPT (0.53) NAMPTHDAC1ROCK2ROCK1RORC
SCHEMBL3045603 0.82 NAMPT (0.50) NAMPTHDAC1CYP2C9
SCHEMBL3050217 0.77 HDAC1 (0.47) NAMPTHDAC1ROCK2
SCHEMBL3052778 0.76 HDAC1 (0.45) NAMPTHDAC1ROCK2
SCHEMBL3042675 0.75 NAMPT (0.45) NAMPTHDAC1
SCHEMBL3719617 0.74 NAMPT (0.41) NAMPTHDAC1
SCHEMBL3723767 0.73 NAMPT (0.43) NAMPTHDAC1ADRB2ADRB1ADRB3
SCHEMBL3048653 0.73 TYRO3 (0.51)
SCHEMBL3048655 0.72 NAMPT (0.42) NAMPTROCK2ROCK1RORCCYP2C9
SCHEMBL3045557 0.72 NAMPT (0.52) NAMPTHDAC1CYP2C9

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 6 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
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP claimed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO 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 84/4885ROCK2 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.