SCHEMBL4595404

SCHEMBL4595404

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.68
BCHE P06276 3/20 0.68
CES2 O00748 1/20 0.68
ALDH1A1 P00352 7/20 0.66
ACHE P22303 2/20 0.66
APAF1 O14727 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
ALOX12 P18054 1/20 0.66
HSD17B10 Q99714 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH3A1 P30838 7/20 0.65
CHRM1 P11229 3/20 0.65
ALDH2 P05091 2/20 0.65
CHRM5 P08912 2/20 0.62

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
SCHEMBL30951984 1.00 CES1 (0.68) CES1BCHECES2ALDH1A1ACHE
SCHEMBL18954847 0.87 ALDH1A1 (0.67) CES1BCHECES2ALDH1A1ACHE
SCHEMBL18288159 0.84 CES1 (0.90) CES1BCHECES2ALDH1A1ACHE
SCHEMBL30774308 0.83 CES1 (0.77) CES1BCHECES2ALDH1A1ACHE
SCHEMBL4597810 0.83 CES1 (0.77) CES1BCHECES2ALDH1A1ACHE
SCHEMBL18669216 0.83 CASP3 (0.59) MAPTALOX15TSHRHPGDHTT
SCHEMBL18974298 0.82 ALDH1A1 (0.73) CES1BCHECES2ALDH1A1ACHE
SCHEMBL18954797 0.82 ALDH1A1 (0.69) CES1BCHECES2ALDH1A1ACHE
SCHEMBL3027106 0.81 CES1 (1.00) CES1BCHECES2ALDH1A1ACHE
SCHEMBL14740673 0.81 CES1 (0.68) CES1BCHECES2ALDH1A1ACHE

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 6 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-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 CES1 4183/4885BCHE 3876/4885CES2 1680/4885

“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.