SCHEMBL3875434

SCHEMBL3875434

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
FAAH O00519 1/20 0.43
YTHDC1 Q96MU7 1/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19609304 0.87 SMN1; SMN2 (0.48) ALDH1A1RAB9ALMNAHPGDCYP19A1
SCHEMBL19609088 0.87 ALDH1A1 (0.47) ALDH1A1RAB9ALOXL2LMNAHPGD
SCHEMBL28486876 0.85 IDO1 (0.49) LOXL2YTHDC1CYP19A1CYP4A11
SCHEMBL28479691 0.81 TLR7 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL17982242 0.81 CDK5 (0.53) ALDH1A1RAB9ACDK5CDK5R1LMNA
SCHEMBL3875617 0.80 GAA (0.47) RAB9AGAALOXL2CDK5CDK5R1
SCHEMBL20678082 0.77 HTT (0.54) ALDH1A1CYP11B2HPGD
SCHEMBL28482301 0.76 ALDH1A1 (0.37) ALDH1A1RAB9ACDK5CDK5R1
SCHEMBL765397 0.76 KDM5B (0.48) ALDH1A1RAB9ACYP11B2LMNACYP19A1
SCHEMBL24131815 0.76 FAAH (0.48) RAB9AGAALOXL2FAAHYTHDC1

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 626/4885RAB9A 985/4885GAA 132/4885

“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.