SCHEMBL2264630

SCHEMBL2264630

Cc1cc2cc(N=C(N)c3cccs3)ccc2n1CCN1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 20/20 0.69
NOS1 P29475 20/20 0.69
NOS2 P35228 13/20 0.69

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
SCHEMBL2262905 0.84 NOS3 (0.71) NOS3NOS1NOS2
SCHEMBL2263081 0.83 NOS3 (0.75) NOS3NOS1NOS2
SCHEMBL2266142 0.83 NOS3 (0.98) NOS3NOS1NOS2
SCHEMBL2261716 0.80 NOS3 (0.59) NOS3NOS1NOS2
SCHEMBL1122021 0.80 NOS1 (0.98) NOS3NOS1NOS2
SCHEMBL1122243 0.79 NOS1 (1.00) NOS3NOS1NOS2
SCHEMBL2264627 0.76 OPRK1 (0.47) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL1121950 0.75 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL4552589 0.74 NOS3 (0.98) NOS3NOS1NOS2
SCHEMBL9039119 0.74 NOS3 (0.61) NOS3NOS1NOS2

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
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
EP-2010527-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2009-01-07 EP disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 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 (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-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 NOS3 2/4885NOS1 1/4885NOS2 3/4885

“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.