SCHEMBL16496007

SCHEMBL16496007

Cc1cccc(-c2ccc(C(=O)NCCc3cccs3)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
RAB9A P51151 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
PSMD14 O00487 1/20 0.56
STAMBP O95630 1/20 0.56
COPS5 Q92905 1/20 0.56
TAAR1 Q96RJ0 1/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
BRD4 O60885 1/20 0.49
CYP1A2 P05177 2/20 0.48
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
ROCK2 O75116 2/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL16495606 0.88 PSMD14 (0.56) NPC1RAB9ASMN1; SMN2PSMD14STAMBP
SCHEMBL16496303 0.87 TRPV1 (0.56) NPC1RAB9ASMN1; SMN2PSMD14STAMBP
SCHEMBL16496362 0.87 NPC1 (0.58) NPC1RAB9ASMN1; SMN2PSMD14STAMBP
SCHEMBL19654542 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2PSMD14STAMBP
SCHEMBL16495488 0.83 RAB9A (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL16495654 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2PSMD14STAMBP
SCHEMBL16495740 0.81 TRPV1 (0.48) SMN1; SMN2ALDH1A1MAPTPOLBTP53
SCHEMBL16496088 0.80 HPGDS (0.52) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL16495457 0.80 MAPT (0.46) LMNAMAPTPOLBTP53TRPV1
SCHEMBL12158613 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TAAR1LMNA

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.