SCHEMBL4597260

SCHEMBL4597260

O=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
ALDH3A1 P30838 3/20 0.76
TSHR P16473 4/20 0.75
KMT2A Q03164 2/20 0.75
PKM P14618 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
CHRM5 P08912 3/20 0.65
CMA1 P23946 1/20 0.62
CES1 P23141 4/20 0.61
ACHE P22303 2/20 0.61
BCHE P06276 2/20 0.61
MAPT P10636 2/20 0.61
HSD17B10 Q99714 2/20 0.61
APAF1 O14727 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 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
SCHEMBL16798717 0.87 ALDH3A1 (1.00) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL19500873 0.86 KMT2A (1.00) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL5424505 0.82 ALDH1A1 (0.57) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL18288159 0.81 CES1 (0.90) ALDH1A1ALDH3A1TSHRCHRM5CES1
SCHEMBL29195354 0.80 KMT2A (0.82) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL1080694 0.78 CMA1 (0.76) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL2592761 0.78 KMT2A (0.74) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL6944267 0.77 KMT2A (0.83) ALDH1A1ALDH3A1TSHRKMT2APKM
SCHEMBL14740673 0.77 CES1 (0.68) ALDH1A1ALDH3A1TSHRCHRM5CES1
SCHEMBL18974146 0.76 CES1 (0.66) ALDH1A1ALDH3A1TSHRCHRM5CES1

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 ALDH1A1 1136/4885ALDH3A1 1159/4885TSHR 3433/4885

“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.