SCHEMBL4175674

SCHEMBL4175674

CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
VCAM1 P19320 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
S100A4 P26447 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL10169776 0.83 KMT2A (0.40) KMT2AMAPTMAPK1VCAM1CA12
SCHEMBL1559789 0.82 GPR35 (0.43) KMT2AMAPTMAPK1ALDH1A1S100A4
SCHEMBL2963423 0.82 SMN1; SMN2 (0.45) KMT2AMAPTCA12CA9TSHR
SCHEMBL7840604 0.81 KMT2A (0.40) KMT2AMAPTMAPK1VCAM1CA12
SCHEMBL14702316 0.81 ALDH1A1 (0.47) KMT2AMAPTMAPK1TSHRALDH1A1
SCHEMBL31632536 0.79 ALDH1A1 (0.44) KMT2AMAPTMAPK1CA12CA9
SCHEMBL29609378 0.79 MAPK1 (0.38) KMT2AMAPTMAPK1TSHRALDH1A1
SCHEMBL19743737 0.79 MAPK1 (0.38) KMT2AMAPTMAPK1TSHRALDH1A1
SCHEMBL15131962 0.79 KMT2A (0.40) KMT2AMAPTMAPK1VCAM1CA12
SCHEMBL9139396 0.79 TSHR (0.46) VCAM1TSHRALDH1A1GRIN2DGRIN3B

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 KMT2A 1509/4885MAPT 2057/4885MAPK1 3542/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX KMT2A 1832/4885MAPT 1924/4885MAPK1 3824/4885

“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.