SCHEMBL4456881

SCHEMBL4456881

Nc1ccccc1Oc1ccc(-c2c[nH]c(COc3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.48
BRAF P15056 1/20 0.47
XDH P47989 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LTA4H P09960 1/20 0.40
GAA P10253 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL4469795 0.99 IKBKB (0.47) IKBKBBRAFXDHNPC1RAB9A
SCHEMBL4686964 0.87 MCL1 (0.46) XDHNPC1RAB9ALTA4HMCL1
SCHEMBL3270671 0.86 MAOA (0.46) XDHNPC1RAB9ALTA4HGAA
SCHEMBL4681321 0.86 KDM4E (0.39) XDHNPC1RAB9AMCL1SMN1; SMN2
SCHEMBL4458363 0.86 MCL1 (0.38) XDHNPC1RAB9ALTA4HMCL1
Hydrochloric Acid SCHEMBL4461345 0.85 XDH (0.45) XDHNPC1RAB9ALTA4HGAA
Hydrochloric Acid SCHEMBL4470343 0.85 KDM4E (0.38) XDHNPC1RAB9AMCL1SMN1; SMN2
SCHEMBL4460188 0.84 NPC1 (0.45) XDHNPC1RAB9ALTA4HMCL1
SCHEMBL4457259 0.83 RAB9A (0.45) XDHNPC1RAB9AGAASMN1; SMN2
SCHEMBL4456518 0.83 PPARG (0.39) XDHNPC1RAB9AMCL1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-2007501267-A 2007-01-25 JP 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
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 IKBKB 51/4885BRAF 222/4885XDH 375/4885

“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.