SCHEMBL6586836

SCHEMBL6586836

O=C1NC(=O)C(N2CCc3ccccc32)=C1c1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 1.00
▸ GSK3A P49840 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ GMNN O75496 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CCNB1 P14635 1/20 0.40

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 0.83 GSK3B (0.71) GSK3BGSK3AALDH1A1MAPTMAPK1
SCHEMBL30999985 0.80 GSK3B (0.81) GSK3BGSK3AALDH1A1MAPTMAPK1
SCHEMBL30999951 0.76 GSK3B (1.00) GSK3BGSK3AALDH1A1MAPTMEN1
SCHEMBL5946290 0.75 GSK3B (0.65) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL11464258 0.75 ALDH1A1 (0.61) GSK3BALDH1A1MAPTMAPK1MEN1
SCHEMBL20267338 0.68 GSK3B (0.55) GSK3BGSK3AALDH1A1MAPTMEN1
SCHEMBL27692998 0.68 SMN1; SMN2 (0.58) GSK3BALDH1A1MAPTMAPK1MEN1
SCHEMBL10620807 0.67 KMT2A (0.59) GSK3BALDH1A1MAPTMAPK1MEN1
SCHEMBL30999966 0.67 GSK3B (0.74) GSK3BGSK3AMAPT
SCHEMBL30999969 0.67 GSK3B (0.74) GSK3BGSK3AMAPT

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
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
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 — — 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
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 — — 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 (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 1/4885GSK3A 2/4885ALDH1A1 2363/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL GSK3B 1/4885GSK3A 2/4885ALDH1A1 2390/4885

“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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