SCHEMBL4173572

SCHEMBL4173572

COC(=O)COc1ccc(OCCBr)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 8/20 0.46
HPGD P15428 3/20 0.46
PTGS2 P35354 1/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL182524 0.81 PLA2G4B (0.54) PLA2G4BRAB9ANPC1ALDH1A1HPGD
SCHEMBL5501006 0.81 MEN1 (0.59) ALDH1A1HPGDMAPTSMN1; SMN2KMT2A
SCHEMBL4186855 0.81 PPARD (0.55) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL4180130 0.81 MAPT (0.51) RAB9ANPC1ALDH1A1HPGDPTGS2
SCHEMBL10504393 0.79 PTGS2 (0.54) ALDH1A1PTGS2MAPTSMN1; SMN2LMNA
SCHEMBL4173816 0.79 MAPT (0.51) RAB9ANPC1ALDH1A1HPGDPTGS2
SCHEMBL18721152 0.79 PTGS2 (0.57) RAB9ANPC1ALDH1A1PTGS2MAPT
SCHEMBL16388497 0.78 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6708261 0.78 MEN1 (0.47) RAB9ANPC1ALDH1A1HPGDPTGS2
SCHEMBL13981920 0.78 MEN1 (0.47) RAB9ANPC1ALDH1A1HPGDPTGS2

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 PLA2G4B 3341/4885RAB9A 2245/4885NPC1 3122/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX PLA2G4B 2980/4885RAB9A 1997/4885NPC1 2236/4885

“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.