SCHEMBL3048972

SCHEMBL3048972

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(NC(=O)OC(C)(C)C)nc3)cc2)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.55
HDAC1 Q13547 1/20 0.46
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
JAK2 O60674 2/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR4 Q13639 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CHRNA7 P36544 1/20 0.38
ATR Q13535 1/20 0.37
EPHX2 P34913 2/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL3053311 0.93 NAMPT (0.48) NAMPTHDAC1ACHEBACE1CD274
SCHEMBL3053090 0.91 NAMPT (0.47) NAMPTJAK2ADRA2AADRA2BKCNH2
SCHEMBL3051338 0.91 NAMPT (0.48) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3045731 0.90 NAMPT (0.54) NAMPTHDAC1ACHEBACE1ADRA2A
SCHEMBL485950 0.90 NAMPT (0.45) NAMPTHDAC1ACHEBACE1CD274
SCHEMBL3058838 0.90 NAMPT (0.47) NAMPTHDAC1CD274JAK2MAPKAPK2
SCHEMBL3058833 0.90 NAMPT (0.47) NAMPTHDAC1CD274JAK2MAPKAPK2
SCHEMBL3055634 0.90 NAMPT (0.47) NAMPTJAK2ADRA2AADRA2BKCNH2
SCHEMBL3058431 0.88 NAMPT (0.44) NAMPTADRA2AADRA2BKCNH2HTR4
SCHEMBL3051605 0.88 NAMPT (0.47) NAMPTADRA2AADRA2BKCNH2HTR4

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 5 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 disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
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 84/4885ACHE 1599/4885

“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.