SCHEMBL4686303

SCHEMBL4686303

CC(C)(C)OC(=O)NNCCc1cc(Cl)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 3/20 0.43
NQO2 P16083 1/20 0.43
HPGD P15428 3/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPA5 P11021 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 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
SCHEMBL248758 0.87 GAA (0.48) ANO1GAAIDO1HPGDHTT
SCHEMBL3734185 0.79 ANO1 (0.51) ANO1GAAIDO1HPGDHTT
SCHEMBL3039418 0.74 IDO1 (0.54) ANO1IDO1NQO2HPGDHTT
SCHEMBL3327166 0.74 KCNMA1 (0.54) GAAHPGDHTTMEN1KMT2A
SCHEMBL31458629 0.74 KCNMA1 (0.54) GAAHPGDHTTMEN1KMT2A
SCHEMBL6874531 0.73 NQO2 (0.46) GAAIDO1NQO2MEN1KMT2A
SCHEMBL6920257 0.73 IDO1 (0.55) ANO1GAAIDO1NQO2HPGD
SCHEMBL23544487 0.72 ANO1 (0.44) ANO1GAAIDO1HPGDHTT
SCHEMBL27207487 0.72 PPARA (0.51) GAAHPGDMAPTALOX12ALDH1A1
SCHEMBL27203760 0.72 PPARA (0.51) GAAHPGDMAPTALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1675832-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005040128-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 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-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 ANO1 4089/4885GAA 1366/4885IDO1 2515/4885

“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.