SCHEMBL4182115

SCHEMBL4182115

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALPG P10696 1/20 0.42
CYP4A11 Q02928 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
SCHEMBL18586978 0.87 TTR (0.52) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL4179550 0.84 MAPT (0.45) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL7467338 0.84 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL27533623 0.81 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL4176290 0.81 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL6813898 0.81 CYP4F2 (0.48) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL5415394 0.80 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL4173816 0.79 MAPT (0.51) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL10504393 0.79 PTGS2 (0.54) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL11679039 0.79 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2L3MBTL1NPC1

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 313/4885SMN1; SMN2 1090/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MAPT 1924/4885ALDH1A1 736/4885SMN1; SMN2 336/4885

“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.