SCHEMBL5251998

SCHEMBL5251998

O=C(Nc1ccc2c(c1)OC[C@H](CO)O2)c1ccc(C#CC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.46
NPC1 O15118 12/20 0.46
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL13757261 1.00 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5250027 1.00 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13757267 0.96 HIF1A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13993380 0.96 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13544156 0.89 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13993451 0.86 NPC1 (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13544152 0.86 NPC1 (0.42) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13757241 0.85 RAB9A (0.45) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13757268 0.85 RAB9A (0.43) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13544144 0.85 NPC1 (0.45) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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
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
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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885MAPT 3268/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885MAPT 3268/4885

“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.