SCHEMBL4596020

SCHEMBL4596020

O=C1C(=O)N(Cc2ccccc2I)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.61
▸ CES1 P23141 7/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ ALDH3A1 P30838 3/20 0.61
▸ CHRM1 P11229 2/20 0.61
▸ ALDH2 P05091 2/20 0.61
▸ BCHE P06276 4/20 0.59
▸ ACHE P22303 2/20 0.58
▸ CES2 O00748 1/20 0.56
▸ CHRM5 P08912 2/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.51

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
SCHEMBL18954691 0.82 TGM2 (0.68) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL15928248 0.81 TGM2 (0.75) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL18974754 0.81 TGM2 (0.61) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL4609842 0.81 CES1 (0.66) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL5430327 0.81 CHRM1 (0.63) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL18954909 0.81 ALDH1A1 (0.71) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL28841898 0.81 CES1 (0.66) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL18955274 0.80 CA1 (0.74) CASP1CASP3CASP7CASP6
SCHEMBL18974327 0.78 CES1 (0.62) TGM2CES1ALDH1A1ALDH3A1CHRM1
SCHEMBL4596097 0.78 TGM2 (0.58) TGM2CES1ALDH1A1ALDH3A1CHRM1

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 TGM2 4700/4885CES1 4183/4885ALDH1A1 1136/4885

“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.

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