SCHEMBL2087485

SCHEMBL2087485

O=C(O)N=C1CNC(=O)N1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.59
GSK3B P49841 3/20 0.59
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
KMT2A Q03164 7/20 0.42
MEN1 O00255 4/20 0.42
MGLL Q99685 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
EP300 Q09472 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2087484 1.00 GSK3A (0.59) GSK3AGSK3BELANEF2PLG
SCHEMBL2086997 0.82 GSK3A (0.49) GSK3AGSK3BELANEF2PLG
SCHEMBL3318940 0.75 GSK3A (1.00) GSK3AGSK3BELANEF2PLG
SCHEMBL4658933 0.72 GSK3A (0.69) GSK3AGSK3BELANEF2PLG
SCHEMBL2085483 0.72 GSK3A (0.69) GSK3AGSK3BELANEF2PLG
SCHEMBL29558351 0.70 GSK3A (0.65) GSK3AGSK3BELANEF2PLG
SCHEMBL4791747 0.70 GSK3A (0.65) GSK3AGSK3BELANEF2PLG
Bicarbonate SCHEMBL25171118 0.66 POLB (0.64) GSK3AGSK3BELANEF2PLG
SCHEMBL10559302 0.66 GSK3A (0.70) GSK3AGSK3BELANEF2PLG
Hydantoin SCHEMBL4914979 0.66 GSK3A (0.77) GSK3AGSK3BELANEF2PLG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053918-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-03-03 US disclosed
EP-2178857-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009005729-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-01-08 WO 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-20110053918-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GSK3A 149/4885GSK3B 151/4885ELANE 1368/4885

“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.