SCHEMBL3875985

SCHEMBL3875985

COC(c1ccc2ccccc2c1)c1cn(Cc2ccc(C(=O)O)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 1/20 0.48
KDM5A P29375 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
TNIK Q9UKE5 3/20 0.41
CPB2 Q96IY4 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
TBXAS1 P24557 1/20 0.39
TRHDE Q9UKU6 1/20 0.39
KDM4A O75164 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTGER4 P35408 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
SCHEMBL3874570 0.87 CYP19A1 (0.46) MLKLKDM5AKDM4CKDM5BCPB2
SCHEMBL3875988 0.73 CYSLTR1 (0.55) KDM5AKDM4CKDM5BTNIKTBXAS1
SCHEMBL8734214 0.67 CYSLTR1 (0.66)
SCHEMBL31307705 0.67 RAB9A (0.51) KDM5AKDM4CKDM5BCDK5CDK5R1
SCHEMBL18863480 0.67 MLKL (0.51) MLKLRARARARBRARG
SCHEMBL26326972 0.66 KMT2A (0.52) MLKLRARARARBRARG
SCHEMBL7381255 0.66 MLKL (0.47) MLKLRARARARBRARGNR1H4
SCHEMBL22747343 0.66 CPB2 (0.49) KDM5AKDM4CKDM5BCPB2CDK5
SCHEMBL18863491 0.66 MLKL (0.47) MLKLRARARARBRARGCYP3A4
SCHEMBL3875991 0.65 MLKL (0.44) MLKLNR1H4PTGER4

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 12 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 claimed
EP-1910305-B1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2009-08-26 EP claimed
US-20080312299-A1 Imidazole Derivatives as Fructose-1,6-Bisphosphatase Inhibitors and Pharmaceutical Compositions Containing Them MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US claimed
EP-1910305-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-16 EP claimed
WO-2007019937-A1 IMIDAZOLE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO claimed
EP-1752450-A1 Imidazole derivatives as fructose-1,6-bisphosphatase inhibitors and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-14 EP claimed
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 MLKL 3070/4885KDM5A 2180/4885KDM4C 3197/4885

“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.