SCHEMBL4597228

SCHEMBL4597228

Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.77
HSP90AA1 P07900 1/20 0.71
TP53 P04637 3/20 0.68
MAPT P10636 2/20 0.68
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
ALDH3A1 P30838 5/20 0.65
ALDH1A1 P00352 1/20 0.65
ALDH2 P05091 1/20 0.65
CES2 O00748 1/20 0.64
BCHE P06276 1/20 0.64
CES1 P23141 1/20 0.64
AGTR1 P30556 1/20 0.61
APAF1 O14727 1/20 0.53

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
SCHEMBL16329852 0.92 ACHE (0.83) ACHEHSP90AA1TP53MAPTCA12
SCHEMBL29869527 0.88 ALDH3A1 (0.82) ACHETP53MAPTCA12CA1
SCHEMBL11186018 0.88 ALDH3A1 (0.82) ACHETP53MAPTCA12CA1
SCHEMBL14047967 0.87 ACHE (0.75) ACHEHSP90AA1TP53MAPTALDH3A1
SCHEMBL28053364 0.87 ACHE (1.00) ACHEHSP90AA1TP53MAPTALDH3A1
SCHEMBL22410741 0.87 ACHE (0.75) ACHEHSP90AA1TP53MAPTCA12
SCHEMBL578250 0.87 ACHE (0.74) ACHEHSP90AA1TP53MAPTCA12
SCHEMBL13627889 0.82 ACHE (0.54) ACHEHSP90AA1TP53MAPTCA12
SCHEMBL4597560 0.82 ACHE (0.86) ACHECA12CA1CA2CA9
SCHEMBL4597660 0.82 CHRM5 (0.73) ACHECA12CA1CA2CA9

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
CN-105541808-A Metronidazole-isatin type compound as well as preparation method and application thereof UNIV JISHOU 2016-05-04 CN 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 ACHE 270/4885HSP90AA1 1489/4885TP53 4519/4885

“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.