SCHEMBL2073986

SCHEMBL2073986

O=C1NCCCc2nc(Cl)sc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.52
GRM5 P41594 6/20 0.41
MAPK1 P28482 1/20 0.35
OR51E2 Q9H255 1/20 0.33
CDK1 P06493 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
OGA O60502 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12938272 0.81 ALDH1A1 (0.57) ALDH1A1TSHRGRM5MAPK1OR51E2
SCHEMBL8197486 0.81 ALDH1A1 (0.61) ALDH1A1TSHRGRM5MAPK1OR51E2
SCHEMBL12938269 0.79 ALDH1A1 (0.59) ALDH1A1TSHRGRM5MAPK1OR51E2
SCHEMBL167247 0.74 ALDH1A1 (0.61) ALDH1A1TSHRGRM5MAPK1PIK3CD
SCHEMBL303576 0.73 PIK3CD (0.67) ALDH1A1TSHRPIK3CDPIK3CAPIK3CB
SCHEMBL3587356 0.71 ALDH1A1 (0.51) ALDH1A1TSHRGRM5MAPK1PIK3CD
SCHEMBL12938270 0.69 GRM5 (0.50) ALDH1A1TSHRGRM5MAPK1ATAD2
SCHEMBL4409177 0.69 GRM5 (0.50) ALDH1A1TSHRGRM5ATAD2OGA
SCHEMBL2072823 0.69 ATAD2 (0.68) ALDH1A1TSHRATAD2PIK3CDPIK3CA
SCHEMBL6860231 0.68 ATAD2 (0.55) ALDH1A1TSHRGRM5MAPK1ATAD2

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-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
EP-1910350-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007007040-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2007-01-18 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-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES GCK, GCKR, HK1 ALDH1A1 1352/4885TSHR 2872/4885GRM5 1683/4885

“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.