SCHEMBL4727488

SCHEMBL4727488

O=C1C(=O)N(Cc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
CES1 P23141 4/20 0.72
BCHE P06276 2/20 0.72
ACHE P22303 2/20 0.72
APAF1 O14727 2/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
MAPT P10636 1/20 0.72
ALOX15 P16050 1/20 0.72
TSHR P16473 1/20 0.72
ALOX12 P18054 1/20 0.72
HSD17B10 Q99714 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
CHRM5 P08912 5/20 0.68
CES2 O00748 1/20 0.63
ALDH3A1 P30838 7/20 0.59
CHRM1 P11229 3/20 0.59
ALDH2 P05091 3/20 0.59

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
SCHEMBL29487533 0.84 ALDH1A1 (1.00) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL5426477 0.84 ALDH1A1 (1.00) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL30081910 0.84 ALDH1A1 (1.00) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL30937979 0.81 CHRM5 (1.00) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL4597549 0.81 CHRM5 (1.00) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL18288159 0.81 CES1 (0.90) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL22177086 0.81 ALDH1A1 (0.78) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL4597340 0.78 CHRM5 (0.73) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL3027106 0.78 CES1 (1.00) ALDH1A1CES1BCHEACHEAPAF1
SCHEMBL953500 0.78 ALDH1A1 (0.60) ALDH1A1CES1BCHEACHEAPAF1

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 2 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
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US 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 1136/4885CES1 4183/4885BCHE 3876/4885

“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.