SCHEMBL3124641

SCHEMBL3124641

O=C(O)NCCN1CCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 6/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
BAZ1A Q9NRL2 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL23455368 0.85 MAPT (0.40) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27816701 0.84 BRD4 (0.41) LMNAMAPTGAASMN1; SMN2NPC1
SCHEMBL499426 0.80 NOS3 (0.42) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL499425 0.80 NOS3 (0.42) LMNAMAPTGAASMN1; SMN2MEN1
SCHEMBL23455573 0.79 MAPT (0.45) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL499294 0.79 NOS3 (0.48) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL23518368 0.77 MAPT (0.41) LMNAMAPTGAANPC1RAB9A
SCHEMBL3502333 0.76 AR (0.46) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31575077 0.76 PIK3CD (0.41) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27983130 0.76 NPC1 (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A

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-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US disclosed
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 US disclosed
US-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-14 US 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 (3 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-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 LMNA 3142/4885MAPT 1622/4885GAA 1038/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 LMNA 3142/4885MAPT 1622/4885GAA 1038/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 LMNA 3142/4885MAPT 1622/4885GAA 1038/4885

“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.