SCHEMBL4567993

SCHEMBL4567993

CCCCCN1CCSc2ccc(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.39
NOS1 P29475 7/20 0.39
NOS2 P35228 4/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
NPBWR1 P48145 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
SCHEMBL13700870 0.88 NOS3 (0.43) NOS3NOS1NOS2MAPTMEN1
SCHEMBL10205445 0.85 NOS3 (0.41) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL4567992 0.78 CNR1 (0.40) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL499624 0.75 NOS3 (0.42) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL4567999 0.74 LMNA (0.40) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL23769111 0.73 MAPT (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL499645 0.73 NOS3 (0.60) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL499358 0.71 NOS3 (0.59) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL499852 0.71 NOS3 (0.38) NOS3NOS1NOS2MAPTKDM4E
SCHEMBL19992656 0.70 KMT2A (0.50) NOS3NOS1MAPTKDM4EALDH1A1

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-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.