SCHEMBL4597174

SCHEMBL4597174

O=C1C(=O)N(CCCCCCl)c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.72
CDC25A P30304 1/20 0.72
ALDH1A1 P00352 5/20 0.69
ALDH2 P05091 4/20 0.69
ALDH3A1 P30838 4/20 0.69
BCHE P06276 3/20 0.69
PKM P14618 1/20 0.63
TGM2 P21980 1/20 0.59
PARK7 Q99497 1/20 0.58
CHRM1 P11229 2/20 0.57
ACHE P22303 1/20 0.54
TP53 P04637 1/20 0.54
CES2 O00748 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL10977652 0.98 ALDH1A1 (0.71) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL2149622 0.93 CES1 (0.73) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL25119255 0.92 CES1 (0.84) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL25119569 0.90 CES1 (0.85) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL7824511 0.86 CES1 (0.79) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL29821573 0.84 CDC25A (1.00) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL282035 0.84 CDC25A (1.00) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL11149607 0.84 CES1 (0.76) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL29613389 0.84 CDC25A (1.00) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL3016105 0.84 CDC25A (1.00) CES1CDC25AALDH1A1ALDH2ALDH3A1

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 CES1 4183/4885CDC25A 3151/4885ALDH1A1 1136/4885

“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.