SCHEMBL4182016

SCHEMBL4182016

N#Cc1cc2c(c([N+](=O)[O-])c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.51
MAPT P10636 8/20 0.45
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.36
MTOR P42345 1/20 0.36
PLK1 P53350 1/20 0.36
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3859982 0.76 MAPT (0.49) MAPTALDH1A1HTTMAPK1TDP1
SCHEMBL18306166 0.76 MAPT (0.49) MAPTALDH1A1NPSR1HTTMAPK1
SCHEMBL31276651 0.76 MAPT (0.49) VCAM1MAPTALDH1A1HTTMAPK1
SCHEMBL17320636 0.76 MAPT (0.49) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4176261 0.76 MAPT (0.49) VCAM1MAPTALDH1A1HTTMAPK1
SCHEMBL4174631 0.76 MAPT (0.49) MAPTALDH1A1NPSR1HTTMAPK1
SCHEMBL1515807 0.73 MAPT (0.46) VCAM1MAPTALDH1A1GAANPSR1
SCHEMBL28798270 0.72 MAPT (0.57) VCAM1MAPTALDH1A1HPGDHTT
SCHEMBL31009333 0.72 MAPT (0.45) MAPTALDH1A1GAAHTTMAPK1
SCHEMBL31009464 0.72 MAPT (0.45) MAPTALDH1A1HTTMAPK1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
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 VCAM1 4141/4885MAPT 2057/4885GRIN2D 376/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX VCAM1 4623/4885MAPT 1924/4885GRIN2D 474/4885

“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.