SCHEMBL499849

SCHEMBL499849

O=C(O)N(CCO)CC(=O)N1CCSc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
DRD4 P21917 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL499850 1.00 ALDH1A1 (0.37) ALDH1A1LMNADRD2SMN1; SMN2L3MBTL1
SCHEMBL500118 0.92 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2DRD4POLB
SCHEMBL500117 0.92 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2DRD4POLB
SCHEMBL499399 0.89 CYP1A2 (0.39) ALDH1A1DRD2SMN1; SMN2MAPTNOTUM
SCHEMBL499398 0.89 CYP1A2 (0.39) ALDH1A1DRD2SMN1; SMN2MAPTNOTUM
SCHEMBL500108 0.86 ALDH1A1 (0.35) ALDH1A1LMNADRD2SMN1; SMN2POLB
SCHEMBL499667 0.84 NOTUM (0.36) ALDH1A1LMNADRD2SMN1; SMN2POLB
SCHEMBL499668 0.84 NOTUM (0.36) ALDH1A1LMNADRD2SMN1; SMN2POLB
SCHEMBL499834 0.82 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2POLBMAPT
SCHEMBL499833 0.82 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2POLBMAPT

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 7 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-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP disclosed
US-20100009975-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-14 US disclosed
WO-2010000073-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-07 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 (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 ALDH1A1 861/4885LMNA 3142/4885DRD2 3033/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 ALDH1A1 861/4885LMNA 3142/4885DRD2 3033/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 ALDH1A1 861/4885LMNA 3142/4885DRD2 3033/4885

“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.