SCHEMBL4468971

SCHEMBL4468971

c1ccc(Cc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.43
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
LTA4H P09960 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.40
MCL1 Q07820 2/20 0.40
PRMT5 O14744 1/20 0.40
GSK3B P49841 1/20 0.39
PNP P00491 1/20 0.39
WDR5 P61964 1/20 0.38
KCNH2 Q12809 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL4466562 0.88 RAB9A (0.45) XDHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4456543 0.86 MCL1 (0.54) XDHRAB9ASMN1; SMN2NPC1ENPP3
SCHEMBL27638129 0.86 MAOB (0.41) XDHRAB9ASMN1; SMN2NPC1LTA4H
SCHEMBL5750527 0.86 LMNA (0.44) XDHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4686964 0.86 MCL1 (0.46) XDHRAB9ASMN1; SMN2NPC1LTA4H
SCHEMBL4457259 0.84 RAB9A (0.45) XDHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL5750522 0.84 RAB9A (0.43) XDHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL16148436 0.84 NPC1 (0.61) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL4458347 0.83 VCP (0.42) XDHRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4680834 0.83 MAOB (0.47) XDHRAB9ANPC1LTA4HMCL1

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 XDH 375/4885RAB9A 2552/4885SMN1; SMN2 4745/4885

“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.