SCHEMBL4597426

SCHEMBL4597426

O=C(CC1(O)C(=O)N(C2Cc3ccc(Cl)c2c3)c2ccccc21)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
ALDH1A1 P00352 8/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 6/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.37
CBX7 O95931 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDYL Q9Y232 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4597431 0.71 SCN9A (0.68) SCN9AALDH1A1MAPK1MAPTLMNA
SCHEMBL5421560 0.70 SCN9A (1.00) SCN9AALDH1A1MAPK1MAPTLMNA
SCHEMBL20989297 0.66 ALDH1A1 (0.70) SCN9AALDH1A1MAPK1MAPTLMNA
SCHEMBL4597650 0.66 ALDH1A1 (0.75) SCN9AALDH1A1MAPTLMNAHSD17B10
SCHEMBL22761371 0.61 SCN9A (0.57) SCN9AALDH1A1MAPK1MAPTHSD17B10
SCHEMBL21837124 0.61 SCN9A (0.57) SCN9AALDH1A1MAPK1MAPTHSD17B10
SCHEMBL4597168 0.60 SCN9A (0.77) SCN9AALDH1A1MAPTHSD17B10POLB
SCHEMBL20989209 0.57 SCN9A (0.56) SCN9AALDH1A1MAPK1MAPTLMNA
SCHEMBL31741899 0.57 SCN9A (0.56) SCN9AALDH1A1MAPK1MAPTLMNA
SCHEMBL15861295 0.56 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTPOLBTP53

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
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 SCN9A 148/4885ALDH1A1 1136/4885MAPK1 2493/4885

“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.