SCHEMBL3586349

SCHEMBL3586349

Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OC[C@H](CO)N2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.42
RAB9A P51151 12/20 0.42
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL3586353 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3586361 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3586358 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544275 0.93 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591685 0.90 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591684 0.90 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591683 0.90 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591681 0.90 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544160 0.90 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5360914 0.88 NPC1 (0.40) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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 7 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
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 disclosed
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 disclosed
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-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
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 (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-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.