SCHEMBL16495752

SCHEMBL16495752

O=C(NCCc1nnc(C2CC2)[nH]1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.52
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.40
GABRA5 P31644 1/20 0.40
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.40
WNT3A P56704 2/20 0.39
MAP4K4 O95819 1/20 0.39
TP53 P04637 1/20 0.39
MLNR O43193 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL16495498 0.86 GABRA5 (0.52) HPGDSGABRA5MAP4K4
SCHEMBL16495495 0.86 GABRA5 (0.52) HPGDSGABRA5MAP4K4
SCHEMBL16496132 0.81 HPGDS (0.51) HPGDSTRPV1MAPTTHRBGABRA5
SCHEMBL16495681 0.79 HPGDS (0.50) HPGDSTRPV1MAPTTHRBHTR2C
SCHEMBL1542860 0.78 GABRA5 (0.59) HPGDSGABRA5MAP4K4
SCHEMBL16495497 0.77 HPGDS (0.55) HPGDS
SCHEMBL16495786 0.77 HPGDS (0.55) HPGDSTRPV1MAPTWNT3ASNCA
SCHEMBL13572932 0.76 HPGDS (0.60) HPGDSTRPV1MAPTGABRA5HTR2C
SCHEMBL16495815 0.76 HPGDS (0.60) HPGDSTRPV1MAPTGABRA5WNT3A
SCHEMBL16495432 0.76 HPGDS (0.54) HPGDSTRPV1MAPTTHRBHTR2C

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 1073/4885TRPV1 116/4885MAPT 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.