SCHEMBL4453036

SCHEMBL4453036

CC(=O)c1ccc(Oc2ccc(N)c(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 1/20 0.61
ESRRA P11474 1/20 0.50
MAOB P27338 6/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MAOA P21397 1/20 0.46
BRAF P15056 2/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
STS P08842 1/20 0.44
PARP10 Q53GL7 3/20 0.43
PARP15 Q460N3 2/20 0.43
PARP14 Q460N5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43

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
SCHEMBL4096360 0.85 HPGD (0.68) MAPTHPGDRAB9AESRRAMAOB
SCHEMBL27638058 0.83 HDAC1 (0.43) MAPTHPGDRAB9AHDAC1HDAC6
SCHEMBL29388181 0.81 HDAC1 (0.61) MAPTRAB9AMAOBHDAC1HDAC6
SCHEMBL478933 0.81 HDAC1 (0.61) MAPTRAB9AMAOBHDAC1HDAC6
SCHEMBL863328 0.80 NR4A1 (0.61) MAPTMAOBHDAC1HDAC6MAOA
SCHEMBL4685046 0.80 GSK3B (0.49) HDAC1HDAC6BRAFPARP10PARP15
Hydrochloric Acid SCHEMBL4469800 0.79 GSK3B (0.47) HDAC1HDAC6BRAFPARP10PARP15
SCHEMBL4091921 0.79 HPGD (0.63) MAPTHPGDRAB9AESRRAMAOB
SCHEMBL3301210 0.78 HPGD (1.00) MAPTHPGDRAB9AESRRAMAOB
SCHEMBL203697 0.78 HPGD (1.00) MAPTHPGDRAB9AESRRAMAOB

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 MAPT 2398/4885HPGD 303/4885RAB9A 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.