SCHEMBL4164822

SCHEMBL4164822

O=Cc1cccc([N+](=O)[O-])c1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.51
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.44
CD69 Q07108 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL4164827 1.00 ERN1 (0.53) ERN1PTGDR2KMT2AALDH1A1MEN1
SCHEMBL4171099 0.83 KMT2A (0.43) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL4171094 0.83 KMT2A (0.43) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL4171096 0.83 KMT2A (0.43) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL4585380 0.80 NPC1 (0.53) ERN1KMT2AMEN1KDM4ENPC1
SCHEMBL2599614 0.79 KMT2A (0.48) PTGDR2KMT2AALDH1A1MEN1MAPT
SCHEMBL8581084 0.78 ERN1 (0.50) ERN1KMT2AALDH1A1MEN1MAPT
SCHEMBL10458181 0.78 ERN1 (0.50) ERN1KMT2AALDH1A1MEN1MAPT
SCHEMBL28340296 0.77 ERN1 (0.49) ERN1KMT2AALDH1A1MEN1MAPT
SCHEMBL7811547 0.77 HTR1A (0.49) ERN1KMT2AALDH1A1MEN1MAPT

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 ERN1 4266/4885PTGDR2 491/4885KMT2A 1509/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX ERN1 4018/4885PTGDR2 370/4885KMT2A 1832/4885

“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.