SCHEMBL2675017

SCHEMBL2675017

CN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 15/20 0.61
NOS1 P29475 15/20 0.61
NOS2 P35228 5/20 0.58
KCNH2 Q12809 4/20 0.52
LMNA P02545 4/20 0.48
TP53 P04637 4/20 0.48
POLB P06746 1/20 0.44

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
SCHEMBL4112042 0.97 NOS3 (0.61) NOS3NOS1NOS2KCNH2LMNA
Hydrochloric Acid SCHEMBL2677347 0.96 NOS3 (0.63) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2675198 0.94 NOS3 (0.62) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2675262 0.94 NOS1 (0.61) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2677052 0.92 NOS3 (0.62) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2674987 0.92 NOS3 (0.54) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2676597 0.92 NOS3 (0.63) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2676865 0.90 NOS3 (0.62) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL2675520 0.88 NOS3 (0.56) NOS3NOS1NOS2KCNH2LMNA
SCHEMBL4113853 0.87 NOS3 (0.62) NOS3NOS1NOS2KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
CN-101679397-A Quinolone and tetrahydroquinoline having NOS inhibitory activity and related compounds NEURAXON INC 2010-03-24 CN disclosed
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885NOS2 2/4885

“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.