SCHEMBL4457061

SCHEMBL4457061

CC(Br)C(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
SCN9A Q15858 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MGLL Q99685 1/20 0.42
FPR2 P25090 7/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PARP4 Q9UKK3 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
SCHEMBL1938267 0.89 CES2 (0.50) HPGDMAPTRAB9AALDH1A1CYP1A2
SCHEMBL19130713 0.86 HPGD (0.48) HPGDMAPTRAB9AALDH1A1SCN9A
SCHEMBL11433567 0.84 PARP10 (0.55) HPGDMAPTRAB9AALDH1A1CYP1A2
SCHEMBL27032575 0.84 BCL2L1 (0.53) HPGDRAB9AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL23485998 0.81 SCN9A (0.43) HPGDMAPTRAB9AALDH1A1CYP1A2
SCHEMBL24209457 0.80 PARP10 (0.47) ALDH1A1SCN9AFPR2KMT2APARP15
SCHEMBL585274 0.78 ALDH1A1 (0.66) MAPTRAB9AALDH1A1CYP1A2HTT
SCHEMBL10799504 0.77 ALOX15 (0.54) MAPTALDH1A1CYP1A2HTTKMT2A
SCHEMBL5747150 0.77 KMT2A (0.63) HPGDMAPTRAB9AALDH1A1CYP1A2
SCHEMBL4102288 0.76 ALDH1A1 (0.51) HPGDALDH1A1CYP1A2CES2CES1

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 HPGD 303/4885MAPT 2398/4885RAB9A 2552/4885

“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.