SCHEMBL4468982

SCHEMBL4468982

CSc1ccc(Oc2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.59
PTPN1 P18031 6/20 0.47
HAO1 Q9UJM8 1/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
PLK1 P53350 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL456450 0.89 GSK3B (0.61) GSK3BPTPN1HAO1PLK1MMP2
SCHEMBL204218 0.86 GSK3B (0.70) GSK3BPTPN1MAPTHPGDRAB9A
SCHEMBL9473821 0.85 HAO1 (0.47) HAO1MAPTHPGDRAB9APLK1
SCHEMBL2773360 0.81 GSK3B (0.89) GSK3BPTPN1MAPTRAB9ALMNA
SCHEMBL10145026 0.81 GSK3B (0.59) GSK3BPTPN1MAPTHPGDRAB9A
SCHEMBL2731286 0.79 PARP15 (0.58) MAPTHPGDRAB9APLK1ALDH1A1
SCHEMBL1350830 0.79 GSK3B (0.67) GSK3BPTPN1POLBERCC5FEN1
SCHEMBL8260473 0.79 GSK3B (0.77) GSK3BPTPN1MAPTRAB9ALMNA
SCHEMBL4467113 0.79 HPGD (0.73) MAPTHPGDRAB9APLK1KDM4E
SCHEMBL10415427 0.78 PTPN1 (0.64) GSK3BPTPN1HAO1HPGDRAB9A

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 3 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

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 3495/4885PTPN1 4446/4885HAO1 4607/4885

“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.