SCHEMBL4456507

SCHEMBL4456507

CNc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
XDH P47989 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
APP P05067 4/20 0.37
LTA4H P09960 2/20 0.37
PTGS2 P35354 1/20 0.37
IKBKB O14920 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ITK Q08881 1/20 0.36
RIPK1 Q13546 1/20 0.36

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 0.90 MCL1 (0.46) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL4455245 0.86 NPC1 (0.50) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL4457369 0.85 MEN1 (0.48) MCL1IKBKBMAPTTDP1
SCHEMBL4456543 0.85 MCL1 (0.54) MCL1XDHNPC1RAB9APTGS2
SCHEMBL4460360 0.85 LTA4H (0.47) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL4457400 0.84 MCL1 (0.41) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL3269527 0.84 ALOX5 (0.50) MCL1NPC1RAB9A
SCHEMBL4460188 0.84 NPC1 (0.45) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL4456749 0.84 PRMT5 (0.43) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL3270671 0.84 MAOA (0.46) MCL1XDHNPC1RAB9ALTA4H

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 6 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

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 375/4885NPC1 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.