SCHEMBL3874302

SCHEMBL3874302

CCOC(=O)c1ccc(Cn2cncc2CO)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
TSHR P16473 3/20 0.52
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.45
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TLR2 O60603 1/20 0.44
NSD2 O96028 1/20 0.44
PKM P14618 1/20 0.44
MPI P34949 1/20 0.44
GRK6 P43250 1/20 0.44
RECQL P46063 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3875649 0.79 ALDH1A1 (0.52) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL3875760 0.79 ALDH1A1 (0.52) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL6240522 0.76 ALDH1A1 (0.59) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL3878873 0.74 ALDH1A1 (0.52) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL151035 0.71 ALDH1A1 (0.60) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL3873541 0.71 CYP11B2 (0.56) GAACYP11B1CYP11B2RAB9AFNTA
SCHEMBL6929093 0.70 CYP11B1 (0.66) CYP11B1CYP11B2MAPTLMNATP53
SCHEMBL1801024 0.70 ALDH1A1 (0.65) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL2093655 0.70 ALDH1A1 (0.58) ALDH1A1TSHRPOLBHPGDGAA
SCHEMBL25062544 0.69 ALDH1A1 (0.63) ALDH1A1TSHRPOLBHPGDGAA

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 ALDH1A1 626/4885TSHR 1806/4885POLB 1960/4885

“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.