SCHEMBL6583043

SCHEMBL6583043

O=C1OC(=O)C(N2CCc3ccccc32)=C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.52
▸ SRD5A1 P18405 3/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL6583765 0.80 GSK3B (0.71) GSK3BSRD5A1GSK3AALDH1A1LMNA
SCHEMBL30999985 0.78 GSK3B (0.81) GSK3BSRD5A1GSK3AALDH1A1HPGD
SCHEMBL12283332 0.70 SRD5A1 (0.42) GSK3BSRD5A1ALDH1A1HPGDKDM4C
SCHEMBL12288804 0.70 SRD5A1 (0.46) GSK3BSRD5A1ALDH1A1PTGS2TP53
SCHEMBL21142245 0.69 SMN1; SMN2 (0.46) GSK3BSRD5A1ALDH1A1HPGDKDM4C
SCHEMBL30999951 0.69 GSK3B (1.00) GSK3BSRD5A1GSK3AALDH1A1ALOX15
Fluoride SCHEMBL28748040 0.68 SMN1; SMN2 (0.45) GSK3BSRD5A1ALDH1A1HPGDKDM4C
SCHEMBL29542545 0.68 ALDH1A1 (0.53) SRD5A1ALDH1A1HPGDKDM4CALOX15
SCHEMBL3905172 0.68 ALDH1A1 (0.53) SRD5A1ALDH1A1HPGDKDM4CALOX15
SCHEMBL592300 0.67 PTGS2 (0.65) ALDH1A1HPGDALOX15PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 — — EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 — — US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 — — US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 — — US 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 (2 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-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL GSK3B 1/4885SRD5A1 779/4885GSK3A 2/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL GSK3B 1/4885SRD5A1 952/4885GSK3A 2/4885

“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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