SCHEMBL2262885

SCHEMBL2262885

Cc1cc2cc(NC(=N)c3cccs3)ccc2n1CCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.49
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
HSP90AA1 P07900 1/20 0.45
GRK2 P25098 1/20 0.45
NOS3 P29474 8/20 0.42
NOS1 P29475 8/20 0.42
NOS2 P35228 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2262981 0.84 NOS3 (0.58) HTR6NOS3NOS1NOS2
SCHEMBL2264627 0.84 OPRK1 (0.47) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL1122358 0.81 NOS3 (0.60) HTR6NOS3NOS1NOS2
SCHEMBL2266488 0.80 NOS3 (0.60) HTR6NOS3NOS1NOS2
SCHEMBL2263080 0.80 NOS3 (0.49) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL12253663 0.77 NOS3 (0.62) HTR6NOS3NOS1NOS2
SCHEMBL14618182 0.77 NOS3 (0.53) NPC1RAB9AKMT2AMAPTNOS3
SCHEMBL1122396 0.76 NOS3 (0.62) HTR6NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL1122252 0.76 NOS3 (0.62) HTR6NOS3NOS1NOS2
SCHEMBL12705584 0.75 NOS3 (0.52) NPC1RAB9AKMT2AMAPTNOS3

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 HTR6 31/4885NPC1 562/4885RAB9A 3096/4885

“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.