SCHEMBL3873541

SCHEMBL3873541

COC(=O)c1ccc(Cn2cncc2CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.56
CYP11B1 P15538 11/20 0.56
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
YTHDC1 Q96MU7 1/20 0.46
PGGT1B P53609 1/20 0.46

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
SCHEMBL9046214 0.87 CYP11B1 (0.60) CYP11B2CYP11B1FNTAFNTBGAA
SCHEMBL3819729 0.85 CYP11B2 (0.78) CYP11B2CYP11B1FNTAFNTBGAA
SCHEMBL7981213 0.82 CYP11B1 (0.73) CYP11B2CYP11B1FNTAFNTB
SCHEMBL6929673 0.80 CYP11B1 (0.75) CYP11B2CYP11B1
SCHEMBL3882851 0.80 CYP11B2 (0.56) CYP11B2CYP11B1GAARAB9AYTHDC1
SCHEMBL6929093 0.78 CYP11B1 (0.66) CYP11B2CYP11B1
SCHEMBL27768342 0.77 CYP11B1 (0.59) CYP11B2CYP11B1GAARAB9A
SCHEMBL3874835 0.77 CYP11B2 (0.49) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL24131793 0.77 MAPK10 (0.52) CYP11B2CYP11B1GAARAB9AYTHDC1
SCHEMBL6599640 0.76 CYP11B1 (0.72) CYP11B2CYP11B1FNTAFNTBRAB9A

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 CYP11B2 120/4885CYP11B1 68/4885FNTA 1143/4885

“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.