SCHEMBL3591684

SCHEMBL3591684

O=C(Nc1ccc2c(c1)OCC(CO)N2)c1ccc(C=CC(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 3/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TRPV1 Q8NER1 4/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
SHMT2 P34897 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3591681 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591685 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591683 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544270 0.92 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3586361 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544160 0.90 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1TRPV1
SCHEMBL3586358 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3586353 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3586349 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5360914 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1TRPV1

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-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

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-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

“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.