SCHEMBL4567971

SCHEMBL4567971

CCCNCCN1CCSc2ccc(NC(=N)c3cccs3)cc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 19/20 0.56
NOS3 P29474 18/20 0.56
NOS2 P35228 12/20 0.56
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL499857 0.93 NOS3 (0.64) NOS1NOS3NOS2KDM4EMEN1
Hydrochloric Acid SCHEMBL499327 0.93 NOS1 (0.63) NOS1NOS3NOS2KDM4EMEN1
SCHEMBL499723 0.91 NOS1 (0.64) NOS1NOS3NOS2KDM4EMEN1
Hydrochloric Acid SCHEMBL500017 0.91 NOS1 (0.63) NOS1NOS3NOS2KDM4EMEN1
SCHEMBL4568000 0.89 NOS3 (0.49) NOS1NOS3NOS2KDM4EMEN1
SCHEMBL499616 0.89 NOS3 (0.63) NOS1NOS3NOS2KDM4EMEN1
Hydrochloric Acid SCHEMBL500020 0.89 NOS3 (0.62) NOS1NOS3NOS2KDM4EMEN1
SCHEMBL4567994 0.89 NOS3 (0.49) NOS1NOS3NOS2KDM4EMEN1
SCHEMBL499838 0.86 NOS3 (0.57) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL499547 0.85 NOS1 (0.56) NOS1NOS3NOS2

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 3 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

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