SCHEMBL2264627

SCHEMBL2264627

Cc1cc2cc(NC(=N)c3cccs3)ccc2n1CCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TSHR P16473 1/20 0.44
GRK2 P25098 1/20 0.44
NOS3 P29474 5/20 0.41
NOS1 P29475 5/20 0.41
NOS2 P35228 2/20 0.41
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14388791 0.85 OPRK1 (0.47) OPRK1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL2263080 0.84 NOS3 (0.49) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL2262885 0.84 HTR6 (0.49) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL2266139 0.83 NOS3 (0.60) OPRK1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL12390555 0.81 OPRK1 (0.43) OPRK1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1122020 0.81 NOS3 (0.60) OPRK1NOS3NOS1NOS2
SCHEMBL2261711 0.80 OPRK1 (0.42) OPRK1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL1122241 0.80 NOS3 (0.62) OPRK1SMN1; SMN2NOS3NOS1NOS2
SCHEMBL12253662 0.77 NOS3 (0.62) SMN1; SMN2LMNAALDH1A1KDM4ENOS3
Hydrochloric Acid SCHEMBL1121949 0.76 NOS3 (0.63) SMN1; SMN2LMNAALDH1A1KDM4ENOS3

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 OPRK1 59/4885SMN1; SMN2 1363/4885LMNA 2469/4885

“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.