SCHEMBL2674397

SCHEMBL2674397

CN(CCN1CCCc2cc(NC(=N)c3cccs3)ccc21)C(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.48
LMNA P02545 7/20 0.48
NOS3 P29474 7/20 0.46
NOS1 P29475 7/20 0.46
KCNH2 Q12809 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 5/20 0.43
NOS2 P35228 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL4119287 0.98 NOS3 (0.46) TP53LMNANOS3NOS1KCNH2
SCHEMBL2675388 0.95 NOS3 (0.47) TP53LMNANOS3NOS1KCNH2
SCHEMBL2674849 0.94 LMNA (0.42) TP53LMNANOS3NOS1KCNH2
SCHEMBL2675055 0.87 NOS1 (0.48) TP53LMNANOS3NOS1KCNH2
SCHEMBL2675820 0.86 NOS1 (0.47) TP53LMNANOS3NOS1MEN1
SCHEMBL499620 0.86 NOS3 (0.48) TP53LMNANOS3NOS1MEN1
SCHEMBL2675017 0.85 NOS3 (0.61) TP53LMNANOS3NOS1KCNH2
SCHEMBL2780282 0.84 NOS3 (0.51) TP53LMNANOS3NOS1KCNH2
SCHEMBL2677052 0.83 NOS3 (0.62) TP53LMNANOS3NOS1KCNH2
SCHEMBL2675512 0.83 NOS3 (0.49) TP53LMNANOS3NOS1KCNH2

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 7 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
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 TP53 4166/4885LMNA 2991/4885NOS3 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.