SCHEMBL13763510

SCHEMBL13763510

O=C(Nc1ccc2c(c1)OCC(CO)O2)c1ccc(C2CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
TP53 P04637 5/20 0.46
HPGD P15428 2/20 0.46
SHMT2 P34897 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CXCR2 P25025 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
SCHEMBL13763311 0.89 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13996002 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544354 0.85 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13763375 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL13763376 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL13995995 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL13763350 0.83 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544729 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13763273 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13763352 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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-20080300243-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.