SCHEMBL16495487

SCHEMBL16495487

CCCCNC(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.51
MAPK14 Q16539 1/20 0.50
CAMK2D Q13557 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PTAFR P25105 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC1 Q13547 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
KMT2A Q03164 1/20 0.45
HTR2C P28335 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL16496067 0.97 HPGDS (0.57) HPGDSSMN1; SMN2MAPTMAPK14CAMK2D
SCHEMBL16495815 0.89 HPGDS (0.60) HPGDSMAPTPTAFRHDAC1BAZ2B
SCHEMBL16496426 0.89 HPGDS (0.52) HPGDSSMN1; SMN2MAPTMAPK14PTAFR
SCHEMBL16495439 0.89 HPGDS (0.56) HPGDSMAPTNPC1RAB9APTAFR
SCHEMBL16496040 0.88 HPGDS (0.58) HPGDSMAPK14PTAFRHIF1AHDAC1
SCHEMBL16495974 0.88 HPGDS (0.53) HPGDSSMN1; SMN2MAPTMAPK14NPC1
SCHEMBL16495503 0.87 HPGDS (0.52) HPGDSMAPK14CAMK2DPTAFRHDAC1
SCHEMBL13572932 0.87 HPGDS (0.60) HPGDSMAPTPTAFRTP53LMNA
SCHEMBL16495773 0.87 HPGDS (0.54) HPGDSSMN1; SMN2MAPTNPC1PTAFR
SCHEMBL16495755 0.86 NPC1 (0.54) HPGDSSMN1; SMN2MAPTMAPK14NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885SMN1; SMN2 1659/4885MAPT 1518/4885

“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.