SCHEMBL3594512

SCHEMBL3594512

O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C=CC(F)(F)F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.61
RAB9A P51151 13/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 4/20 0.61
HPGD P15428 2/20 0.61
TRPV1 Q8NER1 3/20 0.55
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAOB P27338 2/20 0.49

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
SCHEMBL3594509 1.00 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3587418 0.89 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3587414 0.89 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3589988 0.87 TRPV1 (0.51) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3589982 0.87 TRPV1 (0.51) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591756 0.87 TRPV1 (0.51) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3597396 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3596544 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3596550 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5909445 0.84 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TP53TRPV1

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 879/4885RAB9A 2452/4885SMN1; SMN2 2207/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885SMN1; SMN2 2392/4885

“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.