SCHEMBL4596903

SCHEMBL4596903

O=C(CC1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
ALDH1A1 P00352 12/20 0.73
HSD17B10 Q99714 2/20 0.73
SCN9A Q15858 3/20 0.72
TP53 P04637 3/20 0.69
HPGD P15428 1/20 0.69
MAPK1 P28482 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
POLB P06746 1/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL28693188 0.95 ALDH1A1 (0.77) MAPTALDH1A1HSD17B10SCN9ATP53
SCHEMBL28690100 0.91 MAPT (0.91) MAPTALDH1A1HSD17B10SCN9ATP53
SCHEMBL4597501 0.91 MAPT (0.72) MAPTALDH1A1HSD17B10SCN9ATP53
SCHEMBL28703726 0.89 MAPT (0.93) MAPTALDH1A1HSD17B10TP53MAPK1
SCHEMBL28932883 0.86 MAPT (1.00) MAPTALDH1A1HSD17B10TP53MAPK1
SCHEMBL28686592 0.86 ALDH1A1 (0.77) MAPTALDH1A1HSD17B10SCN9ATP53
SCHEMBL28703720 0.85 MAPT (0.93) MAPTALDH1A1HSD17B10TP53MAPK1
SCHEMBL2913548 0.84 ALDH1A1 (0.74) MAPTALDH1A1HSD17B10SCN9ATP53
SCHEMBL28705958 0.84 MAPT (0.76) MAPTALDH1A1HSD17B10SCN9ATP53
SCHEMBL4596859 0.83 ALDH1A1 (0.71) MAPTALDH1A1HSD17B10SCN9ATP53

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 MAPT 1540/4885ALDH1A1 1136/4885HSD17B10 2639/4885

“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.