SCHEMBL4596744

SCHEMBL4596744

O=C(CC1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc[nH]1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.66
ALDH1A1 P00352 13/20 0.64
MAPT P10636 5/20 0.59
HSD17B10 Q99714 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 4/20 0.55
MAPK1 P28482 2/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
USP2 O75604 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4596903 0.83 MAPT (0.75) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL28693188 0.81 ALDH1A1 (0.77) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL28690100 0.80 MAPT (0.91) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4597501 0.80 MAPT (0.72) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL5421560 0.79 SCN9A (1.00) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4595718 0.79 ALDH1A1 (0.88) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4596859 0.79 ALDH1A1 (0.71) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4597478 0.77 ALDH1A1 (0.67) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4625088 0.76 SCN9A (0.68) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL4731713 0.76 SCN9A (0.67) SCN9AALDH1A1MAPTHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP claimed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US claimed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO claimed
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
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US 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 1136/4885MAPT 1540/4885

“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.