SCHEMBL4572074

SCHEMBL4572074

CCN(C)CCN1CCOc2cc(NC(=N)c3cccs3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 16/20 0.53
NOS1 P29475 16/20 0.53
NOS2 P35228 10/20 0.53
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 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
SCHEMBL499119 0.92 NOS3 (0.62) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL15787121 0.90 NOS3 (0.50) NOS3NOS1NOS2KCNH2ALDH1A1
SCHEMBL13521877 0.89 NOS3 (0.52) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL499436 0.88 NOS3 (0.48) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL499625 0.85 NOS1 (0.65) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL10268515 0.85 NOS3 (0.56) NOS3NOS1NOS2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL499392 0.84 NOS1 (0.64) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL499325 0.84 NOS3 (0.62) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL500048 0.84 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL2677052 0.83 NOS3 (0.62) NOS3NOS1NOS2KCNH2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122855-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2012-05-17 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 (1 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 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.