SCHEMBL4171099

SCHEMBL4171099

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
STAT3 P40763 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
AR P10275 1/20 0.39
MAOB P27338 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
SCHEMBL4171096 1.00 KMT2A (0.43) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL4171094 1.00 KMT2A (0.43) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL4164827 0.83 ERN1 (0.53) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL4164822 0.83 ERN1 (0.53) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL2884138 0.81 PRMT1 (0.50) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL2884140 0.81 PRMT1 (0.50) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL2885770 0.81 PRMT1 (0.50) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5916187 0.80 MAPT (0.42) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5916183 0.80 MAPT (0.42) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL5916185 0.80 MAPT (0.42) KMT2AMAPTALDH1A1MEN1LMNA

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 3 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
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 (1 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-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX KMT2A 1832/4885MAPT 1924/4885ALDH1A1 736/4885

“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.