SCHEMBL4456929

SCHEMBL4456929

O=C(CBr)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.59
KDM4E B2RXH2 1/20 0.56
LPAR3 Q9UBY5 2/20 0.51
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
FFAR1 O14842 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SRD5A2 P31213 1/20 0.46

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
SCHEMBL27638057 0.86 KDM4E (0.56) KDM4ELPAR3LTA4HPTGS2FFAR1
SCHEMBL40529 0.86 GSK3B (0.81) GSK3BKDM4EMEN1KMT2AMAOB
SCHEMBL9157193 0.84 SRD5A2 (0.63) KDM4ELPAR3LTA4HPTGS2FFAR1
SCHEMBL9158141 0.82 ALDH1A1 (0.67) KDM4ELPAR3LTA4HPTGS2FFAR1
SCHEMBL9356592 0.82 ALDH1A1 (0.67) KDM4ELPAR3LTA4HPTGS2FFAR1
SCHEMBL4457648 0.82 MAOB (0.64) KDM4ELPAR3LTA4HPTGS2FFAR1
SCHEMBL203505 0.81 TNKS (0.58) GSK3BKDM4ECYP2C9
SCHEMBL28232014 0.81 MAOB (0.73) GSK3BFFAR1ALDH1A1MEN1KMT2A
SCHEMBL73675 0.79 CES2 (0.66) GSK3BALDH1A1MEN1KMT2AHTT
SCHEMBL29703169 0.79 CES2 (0.66) GSK3BALDH1A1MEN1KMT2AHTT

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
US-7534805-B2 Imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-19 US disclosed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
US-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-22 US disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 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-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments MIF, MCL1, PPIP5K2 GSK3B 3495/4885KDM4E 2167/4885LPAR3 4771/4885

“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.