SCHEMBL4597340

SCHEMBL4597340

O=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.73
CA9 Q16790 2/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CES1 P23141 5/20 0.64
ALDH1A1 P00352 5/20 0.64
ALDH3A1 P30838 3/20 0.64
CHRM1 P11229 2/20 0.64
ALDH2 P05091 2/20 0.64
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
BCHE P06276 3/20 0.58
ACHE P22303 2/20 0.58
APAF1 O14727 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL18974314 0.87 CHRM5 (0.55) CHRM5CA9CA1CA2CES1
SCHEMBL18975007 0.86 ALDH1A1 (0.64) CHRM5CA9CA1CA2CES1
SCHEMBL1218585 0.85 CA1 (0.70) CHRM5CA9CA1CA2CES1
SCHEMBL4597549 0.85 CHRM5 (1.00) CHRM5CA9CA1CA2CES1
SCHEMBL30937979 0.85 CHRM5 (1.00) CHRM5CA9CA1CA2CES1
SCHEMBL18669003 0.84 CA9 (0.61) CHRM5CA9CA1CA2ALDH1A1
SCHEMBL13627876 0.84 CA9 (0.54) CHRM5CA9CA1CA2ALDH1A1
SCHEMBL28093749 0.82 CHRM5 (0.71) CHRM5CA9CA1CA2CES1
SCHEMBL28094130 0.82 CHRM5 (0.71) CHRM5CA9CA1CA2CES1
SCHEMBL18974298 0.82 ALDH1A1 (0.73) CHRM5CA9CA1CA2CES1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 WO disclosed
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 CHRM5 355/4885CA9 2242/4885CA1 1475/4885

“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.