SCHEMBL3878702

SCHEMBL3878702

COc1cccc(CNCc2cn(Cc3ccc(C(=O)O)cc3)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 3/20 0.53
MMP13 P45452 7/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGER4 P35408 4/20 0.48
TP53 P04637 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PTGER2 P43116 2/20 0.46
NPC1 O15118 1/20 0.45

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
Potassium Ion SCHEMBL3882943 0.90 HDAC1 (0.51) SMN1; SMN2HDAC1MMP13MEN1KMT2A
SCHEMBL3881010 0.89 CDK5 (0.51) SMN1; SMN2MMP13PTGER4TP53CDK5
SCHEMBL3873546 0.85 KDM5B (0.51) SMN1; SMN2HDAC1MMP13MEN1KMT2A
SCHEMBL3874216 0.85 EGLN1 (0.56) MMP13PTGER4CDK5CDK5R1PTGER2
SCHEMBL3886892 0.82 KDM4C (0.57) HDAC1MMP13MEN1KMT2APTGER4
SCHEMBL3881934 0.79 KDM5A (0.55) SMN1; SMN2MMP13PTGER4PTGER2
SCHEMBL3877779 0.79 ALDH1A1 (0.48) SMN1; SMN2MMP13MEN1KMT2ATP53
Potassium Ion SCHEMBL3879744 0.78 CYP19A1 (0.47) HDAC1MMP13CDK5CDK5R1HDAC3
SCHEMBL3873000 0.78 KDM4C (0.51) SMN1; SMN2MEN1KMT2ATP53NPC1
SCHEMBL3880975 0.77 EGLN1 (0.53) SMN1; SMN2MMP13PTGER4CDK5CDK5R1

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 SMN1; SMN2 3574/4885HDAC1 580/4885MMP13 3724/4885

“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.