SCHEMBL4595442

SCHEMBL4595442

CCCCCN1C(=O)C(NC(=O)O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
HSD17B10 Q99714 1/20 0.75
CDC25A P30304 8/20 0.62
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.53
CCKBR P32239 1/20 0.52
CNR2 P34972 3/20 0.49
CNR1 P21554 1/20 0.49
SCN9A Q15858 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL14506483 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL7504905 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL7499946 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL18188988 0.77 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL10632834 0.76 CDC25A (0.62) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL29131197 0.75 CDC25A (0.60) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL3016301 0.75 CDC25A (0.60) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL254004 0.74 CDC25A (0.70) ALDH1A1MEN1KMT2AHSD17B10CDC25A
SCHEMBL28227485 0.74 CDC25A (0.62) ALDH1A1MEN1KMT2AHSD17B10CDC25A
Hydrochloric Acid SCHEMBL7497399 0.74 CDC25A (0.59) ALDH1A1MEN1KMT2AHSD17B10CDC25A

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 1136/4885MEN1 4040/4885KMT2A 4075/4885

“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.