SCHEMBL499298

SCHEMBL499298

CN(CCN1CCOc2ccc(NC(=N)c3cccs3)cc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.51
NOS1 P29475 6/20 0.51
NOS2 P35228 5/20 0.51
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
CTNNB1 P35222 1/20 0.36

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
SCHEMBL499325 0.90 NOS3 (0.62) NOS3NOS1NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL499712 0.89 NOS3 (0.61) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL499650 0.88 NOS3 (0.47) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL13521999 0.88 NOS3 (0.54) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL10264768 0.88 NOS3 (0.47) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL4567976 0.83 NOS3 (0.64) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL4567946 0.83 NOS3 (0.49) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL499241 0.83 NOS3 (0.51) NOS3NOS1NOS2ALDH1A1HPGD
SCHEMBL499436 0.83 NOS3 (0.48) NOS3NOS1NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL500065 0.83 NOS3 (0.62) NOS3NOS1NOS2NPC1RAB9A

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 5 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
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 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885

“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.