SCHEMBL4179726

SCHEMBL4179726

O=C1COc2cc(F)c(C(=O)CCl)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
NR3C2 P08235 5/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 2/20 0.41
MMP12 P39900 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
MAP3K5 Q99683 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
SCHEMBL5257024 0.83 GAA (0.53) ALDH1A1MAPTNR3C2PARP1GAA
SCHEMBL23011960 0.82 NR3C2 (0.46) ALDH1A1MAPTNR3C2PARP1GAA
SCHEMBL29706754 0.82 NR3C2 (0.46) ALDH1A1MAPTNR3C2PARP1GAA
SCHEMBL15797262 0.82 MMP12 (0.48) ALDH1A1MAPTNR3C2PARP1GAA
SCHEMBL34475158 0.78 PARP1 (0.45) ALDH1A1MAPTNR3C2PARP1GAA
SCHEMBL4049030 0.77 MMP12 (0.54) ALDH1A1MAPTNR3C2PARP1MMP12
SCHEMBL12067736 0.75 ACLY (0.49) ALDH1A1MAPTNR3C2PARP1MMP12
SCHEMBL30557601 0.75 ACLY (0.49) ALDH1A1MAPTNR3C2PARP1MMP12
SCHEMBL23830531 0.75 MMP12 (0.49) ALDH1A1MAPTNR3C2PARP1GAA
SCHEMBL532500 0.75 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ECASP3SENP7

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
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (2 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX ALDH1A1 313/4885MAPT 2057/4885NR3C2 712/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX ALDH1A1 736/4885MAPT 1924/4885NR3C2 821/4885

“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.