SCHEMBL4176334

SCHEMBL4176334

O=C1COc2cc(F)c(CCCl)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.52
HTR1A P08908 4/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PARP1 P09874 1/20 0.43
MMP12 P39900 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ADRB1 P08588 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 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
SCHEMBL13343855 0.82 NR3C2 (0.51) NR3C2HTR1ADRD2HTR2ASLC6A4
SCHEMBL5251708 0.82 NR3C2 (0.51) NR3C2HTR1ADRD2HTR2ASLC6A4
SCHEMBL24776433 0.82 NR3C2 (0.51) NR3C2HTR1ADRD2HTR2ASLC6A4
SCHEMBL4049030 0.80 MMP12 (0.54) NR3C2MAPTALDH1A1PARP1MMP12
SCHEMBL30557601 0.77 ACLY (0.49) NR3C2MAPTALDH1A1PARP1MMP12
SCHEMBL12067736 0.77 ACLY (0.49) NR3C2MAPTALDH1A1PARP1MMP12
SCHEMBL4179726 0.75 ALDH1A1 (0.60) NR3C2MAPTALDH1A1PARP1MMP12
SCHEMBL8490305 0.75 AHR (0.42) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL12060295 0.74 TP53 (0.57) NR3C2MAPTPARP1MMP12TP53
SCHEMBL8192329 0.74 MMP12 (0.49) NR3C2MAPTALDH1A1PARP1MMP12

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 NR3C2 712/4885HTR1A 47/4885DRD2 251/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX NR3C2 821/4885HTR1A 476/4885DRD2 574/4885

“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.