SCHEMBL486117

SCHEMBL486117

Nc1ccc(CNC(=O)Nc2ccc(-c3ccc(C(=O)NC4CCCC4)c(NC4CC4)n3)cc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
FLT3 P36888 10/20 0.41
TYRO3 Q06418 10/20 0.41
MERTK Q12866 10/20 0.41
GAS6 Q14393 10/20 0.41
MAPK1 P28482 2/20 0.39
HDAC1 Q13547 2/20 0.38
MAP4K4 O95819 1/20 0.38
NAMPT P43490 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL485973 0.98 ALOX5AP (0.43) ALOX5APFEN1FLT3TYRO3MERTK
SCHEMBL486043 0.94 TYRO3 (0.47) FLT3TYRO3MERTKGAS6
SCHEMBL486036 0.89 TYRO3 (0.51) FLT3TYRO3MERTKGAS6
SCHEMBL486114 0.88 MEN1 (0.41) FLT3TYRO3MERTKGAS6MAPK1
SCHEMBL3042675 0.88 NAMPT (0.45) ALOX5APFEN1FLT3TYRO3MERTK
SCHEMBL3050217 0.85 HDAC1 (0.47) FLT3TYRO3MERTKGAS6HDAC1
SCHEMBL3719617 0.81 NAMPT (0.41) FLT3TYRO3MERTKGAS6HDAC1
SCHEMBL485974 0.79 HDAC1 (0.40) ALOX5APFEN1MAPK1HDAC1NAMPT
SCHEMBL486537 0.79 ALOX5AP (0.41) ALOX5APFEN1FLT3TYRO3MERTK
SCHEMBL485803 0.79 TLR2 (0.39) FLT3TYRO3MERTKGAS6MAPK1

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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US claimed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 ALOX5AP 1382/4885FEN1 1980/4885FLT3 355/4885

“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.