SCHEMBL16495654

SCHEMBL16495654

O=C(NCCc1cccs1)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55
PSMD14 O00487 1/20 0.53
STAMBP O95630 1/20 0.53
COPS5 Q92905 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
NAMPT P43490 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
ROCK2 O75116 1/20 0.47
HPGDS O60760 2/20 0.47

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
SCHEMBL16496362 0.90 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TAAR1PSMD14
SCHEMBL19654542 0.88 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TAAR1PSMD14
SCHEMBL16495606 0.88 PSMD14 (0.56) NPC1RAB9ASMN1; SMN2TAAR1PSMD14
SCHEMBL10442013 0.84 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL16496007 0.82 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TAAR1PSMD14
SCHEMBL16495895 0.81 NAMPT (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL16496303 0.79 TRPV1 (0.56) NPC1RAB9ASMN1; SMN2TAAR1PSMD14
SCHEMBL16495589 0.79 HPGDS (0.56) NPC1RAB9ARXFP1PTPN1PTPN6
SCHEMBL16495719 0.77 RXFP1 (0.53) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL16496188 0.76 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNARXFP1

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 NPC1 236/4885RAB9A 2122/4885SMN1; SMN2 1659/4885

“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.