SCHEMBL2263676

SCHEMBL2263676

CN1CC=C(c2c[nH]c3cc(NC(=N)c4cccs4)ccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.64
NOS1 P29475 7/20 0.64
NOS2 P35228 5/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SLC6A4 P31645 4/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HTR1A P08908 1/20 0.52
ALOX15 P16050 1/20 0.52
HTR6 P50406 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1121961 0.93 NOS3 (0.64) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL14404693 0.83 NOS3 (0.42) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL7484250 0.81 NOS3 (0.64) NOS3NOS1NOS2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2936581 0.81 KDM4E (0.54) NOS3NOS1NOS2KDM4ELMNA
SCHEMBL2935260 0.81 KDM4E (0.54) NOS3NOS1NOS2KDM4ELMNA
SCHEMBL2260904 0.81 NOS3 (0.60) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL12367336 0.81 NOS3 (0.60) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL12367651 0.80 NOS3 (0.62) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL2940253 0.80 NOS3 (0.49) NOS3NOS1NOS2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2926467 0.80 NOS3 (0.49) NOS3NOS1NOS2CYP3A4CYP2D6

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 11 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
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
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US 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
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US 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
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.