SCHEMBL4466554

SCHEMBL4466554

COCCOc1ccc(-c2c[nH]c(COc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38

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
SCHEMBL4460197 0.88 CYP2D6 (0.52) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL4686964 0.85 MCL1 (0.46) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL4686443 0.85 LTA4H (0.52) KDM4EALDH1A1
SCHEMBL4466562 0.85 RAB9A (0.45) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL4455245 0.85 NPC1 (0.50) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL4457382 0.84 LTA4H (0.51) KDM4EALDH1A1
SCHEMBL5750527 0.82 LMNA (0.44) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL4456550 0.81 KDM4E (0.40) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL4457259 0.81 RAB9A (0.45) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL5750522 0.81 RAB9A (0.43) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT

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 13 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 claimed
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 claimed
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 claimed
JP-2007501267-A 2007-01-25 JP claimed
CN-1795179-A Novel imidazole derivatives, the production thereof, and the use of the same as a medicament SOD CONSEILS RECH APPLIC (FR) 2006-06-28 CN claimed
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 claimed
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 claimed
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
CN-1795179-A Novel imidazole derivatives, the production thereof, and the use of the same as a medicament SOD CONSEILS RECH APPLIC (FR) 2006-06-28 CN 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 RAB9A 2552/4885SMN1; SMN2 4745/4885NPC1 512/4885

“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.