SCHEMBL4456543

SCHEMBL4456543

c1ccc(COc2ccc(Oc3ccc(-c4c[nH]c(COc5ccccc5)n4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.54
XDH P47989 1/20 0.49
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
WDR5 P61964 1/20 0.44
PRMT5 O14744 4/20 0.44
GSTP1 P09211 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4686964 0.95 MCL1 (0.46) MCL1XDHENPP3ENPP1RAB9A
SCHEMBL4460360 0.90 LTA4H (0.47) MCL1XDHRAB9ASMN1; SMN2MEN1
SCHEMBL4680834 0.89 MAOB (0.47) MCL1XDHRAB9ANPC1FFAR1
SCHEMBL4455245 0.88 NPC1 (0.50) MCL1XDHRAB9ASMN1; SMN2MEN1
SCHEMBL4680696 0.88 MCL1 (0.48) MCL1XDHRAB9ASMN1; SMN2NPC1
SCHEMBL3270671 0.88 MAOA (0.46) MCL1XDHRAB9ASMN1; SMN2MEN1
SCHEMBL4460188 0.88 NPC1 (0.45) MCL1XDHRAB9ASMN1; SMN2MEN1
SCHEMBL4456749 0.88 PRMT5 (0.43) MCL1XDHRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4459252 0.88 MAOB (0.49) MCL1XDHRAB9ANPC1MAOB
Hydrochloric Acid SCHEMBL4461345 0.87 XDH (0.45) MCL1XDHRAB9ASMN1; SMN2MEN1

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 8 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
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 MCL1 2/4885XDH 375/4885ENPP3 1611/4885

“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.