SCHEMBL6583252

SCHEMBL6583252

O=C(O)Cc1c(F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP6 P55212 2/20 0.40
VCAM1 P19320 1/20 0.39
RECQL P46063 1/20 0.38
FBP1 P09467 1/20 0.38
TSHR P16473 2/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36

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
SCHEMBL31558555 1.00 CYP1A2 (0.45) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL2975400 0.87 ATM (0.40) ATMTDP1ALDH1A1HIF1ALMNA
SCHEMBL3391673 0.86 CYP1A2 (0.45) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6284204 0.85 GPR35 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6284211 0.85 GPR35 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6179100 0.83 TDP1 (0.44) CYP1A2ATMTDP1ALDH1A1HIF1A
SCHEMBL6284303 0.83 PDGFRB (0.43) ATMTDP1ALDH1A1LMNAMEN1
SCHEMBL30765972 0.83 PDGFRB (0.43) ATMTDP1ALDH1A1LMNAMEN1
SCHEMBL29705471 0.82 ATM (0.44) ATMTDP1ALDH1A1HIF1ALMNA
SCHEMBL2116895 0.82 ATM (0.44) ATMTDP1ALDH1A1HIF1ALMNA

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 CYP1A2 1655/4885ATM 1213/4885TDP1 1121/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL CYP1A2 1737/4885ATM 1669/4885TDP1 1395/4885

“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.