SCHEMBL6584632

SCHEMBL6584632

COC(=O)Cc1cccc(C=C[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.56
MAOA P21397 6/20 0.52
MAOB P27338 6/20 0.52
TLR4 O00206 3/20 0.52
TLR2 O60603 3/20 0.52
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
NSD2 O96028 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4404014 0.85 CYP4F2 (0.58) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL4404015 0.85 CYP4F2 (0.58) MAOAMAOBKDM4ENPC1ALDH1A1
SCHEMBL4683223 0.80 LTB4R (0.56) KDM4EALDH1A1LMNATHRBPKM
SCHEMBL4683225 0.80 LTB4R (0.56) KDM4EALDH1A1LMNATHRBPKM
SCHEMBL14143301 0.79 CYP4F2 (0.59) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL14501332 0.79 CYP4F2 (0.63) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL1124720 0.78 SLC7A5 (0.56) MAOAMAOBNPC1ALDH1A1MAPT
SCHEMBL4397016 0.77 SLC7A5 (0.51) KDM4ENPC1ALDH1A1LMNAPOLB
SCHEMBL520733 0.77 MEN1 (0.58) MAOAMAOBALDH1A1MAPTRECQL
SCHEMBL289471 0.77 CYP4F2 (0.56) KDM4EALDH1A1MAPTPKMSMN1; SMN2

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 5 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-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 (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-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL FBP1 1379/4885MAOA 2864/4885MAOB 2102/4885

“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.