SCHEMBL4179550

SCHEMBL4179550

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 8/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALPG P10696 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G4B P0C869 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
SCHEMBL7475005 0.84 ALDH1A1 (0.41) MAPTALDH1A1LMNAALPGKDM4E
SCHEMBL4182115 0.84 MAPT (0.49) MAPTALDH1A1LMNAL3MBTL1ALPG
SCHEMBL18586978 0.79 TTR (0.52) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL4176290 0.75 ALDH1A1 (0.54) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL5415394 0.75 ALDH1A1 (0.49) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL10504393 0.74 PTGS2 (0.54) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL4173816 0.74 MAPT (0.51) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL11679039 0.74 ALDH1A1 (0.48) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL4180130 0.73 MAPT (0.51) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL13981920 0.73 MEN1 (0.47) MAPTALDH1A1LMNANPC1RAB9A

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 MAPT 2057/4885ALDH1A1 313/4885LMNA 624/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MAPT 1924/4885ALDH1A1 736/4885LMNA 589/4885

“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.