SCHEMBL2260915

SCHEMBL2260915

Nc1ccc(-n2ccc3cc([N+](=O)[O-])ccc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
MAPT P10636 2/20 0.47
SLC6A2 P23975 1/20 0.43
GLS O94925 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 1/20 0.40
FGFR1 P11362 1/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
NOS1 P29475 1/20 0.37
PTK2 Q05397 1/20 0.36
DGAT1 O75907 1/20 0.36
DHFR P00374 1/20 0.36
XDH P47989 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL257518 0.82 SLC6A2 (0.49) CDC7MAPTSLC6A2GLSALDH1A1
SCHEMBL2262316 0.79 PRKCI (0.45) CDC7MAPTFGFR1PLAUDGAT1
SCHEMBL2263558 0.79 SLC6A2 (0.51) CDC7MAPTSLC6A2GLSALDH1A1
SCHEMBL716278 0.77 SLC6A2 (0.61) CDC7MAPTSLC6A2GLSALDH1A1
SCHEMBL16862099 0.77 KCNH2 (0.54) CDC7MAPTSLC6A2ALDH1A1CYP19A1
SCHEMBL19483168 0.76 ALDH1A1 (0.57) MAPTSLC6A2ALDH1A1CYP19A1FGFR1
SCHEMBL16862008 0.75 KCNH2 (0.48) CDC7MAPTSLC6A2ALDH1A1CYP19A1
SCHEMBL20357971 0.74 CDC7 (0.81) CDC7
SCHEMBL28565495 0.74 SLC6A2 (0.51) CDC7MAPTSLC6A2GLSALDH1A1
SCHEMBL31735926 0.74 SLC6A2 (0.51) CDC7MAPTSLC6A2GLSALDH1A1

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
CN-101466709-B 1,5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC 2013-03-20 CN 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
CN-101466709-A 1, 5 and 3, 6-substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2009-06-24 CN 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

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 CDC7 3310/4885MAPT 2200/4885SLC6A2 1484/4885

“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.