SCHEMBL3873546

SCHEMBL3873546

O=C(O)c1ccc(Cn2cnc(CNCc3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 3/20 0.51
KDM4C Q9H3R0 3/20 0.51
KDM5A P29375 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTGER4 P35408 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4A O75164 3/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
CYP19A1 P11511 1/20 0.43
HDAC1 Q13547 1/20 0.43
CDK5 Q00535 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
SCHEMBL3881934 0.90 KDM5A (0.55) KDM5BKDM4CKDM5AALDH1A1PTGER4
SCHEMBL3877779 0.90 ALDH1A1 (0.48) KDM5BKDM4CKDM5AALDH1A1SMN1; SMN2
Potassium Ion SCHEMBL3877708 0.89 KDM5B (0.52) KDM5BKDM4CKDM5AALDH1A1HDAC6
SCHEMBL3873000 0.89 KDM4C (0.51) KDM5BKDM4CKDM5AALDH1A1SMN1; SMN2
SCHEMBL3881010 0.87 CDK5 (0.51) ALDH1A1PTGER4SMN1; SMN2TP53CYP19A1
SCHEMBL3878702 0.85 SMN1; SMN2 (0.54) HDAC8PTGER4SMN1; SMN2MEN1TP53
SCHEMBL3886892 0.85 KDM4C (0.57) KDM5BKDM4CKDM5AHDAC6PTGER4
SCHEMBL3873027 0.84 KDM5B (0.47) KDM5BKDM4CKDM5AALDH1A1SMN1; SMN2
SCHEMBL3873589 0.80 HSP90AB1 (0.53) KDM5BKDM4CKDM5AALDH1A1KDM4A
Potassium Ion SCHEMBL3873536 0.79 KDM4A (0.45) KDM5BKDM4CKDM5AALDH1A1HDAC6

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 KDM5B 1940/4885KDM4C 3197/4885KDM5A 2180/4885

“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.