SCHEMBL1122365

SCHEMBL1122365

O=[N+]([O-])c1ccc2ccn(Cc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HTR6 P50406 1/20 0.52
HTR7 P34969 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
APP P05067 1/20 0.48
SNCA P37840 1/20 0.48
BRD4 O60885 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP4 P49662 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
BACE1 P56817 1/20 0.46

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
SCHEMBL2263749 0.89 NPC1 (0.64) NPC1HSP90AA1ALDH1A1MAPTHTT
SCHEMBL6086636 0.87 IDO1 (0.53) NPC1HSP90AA1HTR7ALDH1A1MAPT
SCHEMBL1122013 0.86 PKM (0.58) NPC1HTR7MAPTMEN1KMT2A
SCHEMBL915161 0.84 HTR6 (0.46) HTR6HTR7ALDH1A1MAPTHTT
SCHEMBL709684 0.83 HTR7 (0.48) NPC1HSP90AA1HTR7BRD4MEN1
SCHEMBL6087318 0.82 SLC29A1 (0.48) HTR7ALDH1A1MAPTMEN1KMT2A
SCHEMBL6085171 0.82 HTR6 (0.60) NPC1HSP90AA1HTR6ALDH1A1MAPT
SCHEMBL710146 0.82 HTR7 (0.47) NPC1HSP90AA1HTR6HTR7MAPT
SCHEMBL6085161 0.82 KMT2A (0.57) NPC1HSP90AA1HTR6ALDH1A1MAPT
SCHEMBL31335083 0.80 NR1H4 (0.50) MEN1KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
CN-101247853-B Substituted indole compounds having NOS inhibitory activity NEURAXON INC 2014-11-12 CN disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
WO-2012177782-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 WO disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US disclosed
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 US disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 EP 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 (5 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NPC1 906/4885HSP90AA1 2324/4885HTR6 274/4885
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 NPC1 2092/4885HSP90AA1 627/4885HTR6 2890/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 NPC1 906/4885HSP90AA1 2324/4885HTR6 274/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 NPC1 906/4885HSP90AA1 2324/4885HTR6 274/4885
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 NPC1 1597/4885HSP90AA1 419/4885HTR6 386/4885

“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.