SCHEMBL4597549

SCHEMBL4597549

O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 1.00
CES1 P23141 4/20 0.70
ACHE P22303 2/20 0.70
ALDH1A1 P00352 6/20 0.69
ALDH3A1 P30838 6/20 0.69
CHRM1 P11229 3/20 0.69
ALDH2 P05091 3/20 0.69
BCHE P06276 2/20 0.68
CES2 O00748 1/20 0.68
HSP90AA1 P07900 1/20 0.67
CHRM3 P20309 2/20 0.67
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
APAF1 O14727 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 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
SCHEMBL30937979 1.00 CHRM5 (1.00) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL18288159 0.87 CES1 (0.90) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL18974138 0.85 CHRM5 (0.74) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL4597340 0.85 CHRM5 (0.73) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL30774308 0.83 CES1 (0.77) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL4597810 0.83 CES1 (0.77) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL28093749 0.83 CHRM5 (0.71) CHRM5CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL28094130 0.83 CHRM5 (0.71) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL29506660 0.82 ALDH1A1 (1.00) CHRM5CES1ACHEALDH1A1ALDH3A1
SCHEMBL2087729 0.82 ALDH1A1 (1.00) CHRM5CES1ACHEALDH1A1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN claimed
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN disclosed
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN disclosed
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN 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-2008074078-A1 SELECTIVELY DELIVERABLE ISATIN-BASED CYTOTOXIC AGENTS UNIVERSITY OF WOLLONGONG (AU) 2008-06-26 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 355/4885CES1 4183/4885ACHE 270/4885

“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.