SCHEMBL3875339

SCHEMBL3875339

COC(=O)c1ccc(Cn2cnc(C)c2CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.51
CYP11B2 P19099 1/20 0.51
BRD4 O60885 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.45
MAPK10 P53779 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP4A11 Q02928 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MMP13 P45452 1/20 0.44
CYP4F2 P78329 1/20 0.43
FAAH O00519 1/20 0.43
AR P10275 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
SCHEMBL3876222 0.83 YTHDC1 (0.52) YTHDC1CYP11B2BRD4GAARAB9A
SCHEMBL11211782 0.77 CYP11B1 (0.47) CYP11B2GAALMNASMN1; SMN2
SCHEMBL3873541 0.75 CYP11B2 (0.56) YTHDC1CYP11B2GAARAB9A
SCHEMBL7327325 0.74 YTHDC1 (0.44) YTHDC1CYP11B2RECQLMAPK10SMN1; SMN2
SCHEMBL29754324 0.74 LMNA (0.54) YTHDC1CYP11B2GAARAB9ALMNA
SCHEMBL3497107 0.74 HDAC1 (0.70) CYP11B2BRD4RAB9ALMNARECQL
SCHEMBL2881787 0.73 BRD4 (0.60) YTHDC1CYP11B2BRD4GAARAB9A
SCHEMBL3582673 0.73 SMN1; SMN2 (0.46) GAASMN1; SMN2
SCHEMBL7985129 0.73 YTHDC1 (0.50) YTHDC1CYP11B2BRD4GAARAB9A
SCHEMBL3875760 0.73 ALDH1A1 (0.52) GAARAB9ALMNARECQLMAPK10

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-8673955-B2 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
EP-1910305-B1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2009-08-26 EP disclosed
US-20080312299-A1 Imidazole Derivatives as Fructose-1,6-Bisphosphatase Inhibitors and Pharmaceutical Compositions Containing Them MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
EP-1910305-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-16 EP disclosed
WO-2007019937-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
EP-1752450-A1 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-14 EP 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-20080312299-A1 Imidazole Derivatives as Fructose-1,6-Bisphosphatase Inhibitors and Pharmaceutical Compositions Containing Them FBP1, ALDOA, GYS2 YTHDC1 4783/4885CYP11B2 120/4885BRD4 2529/4885

“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.