SCHEMBL1122247

SCHEMBL1122247

CCOC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.49
HTR7 P34969 1/20 0.48
MAPT P10636 8/20 0.46
NPC1 O15118 3/20 0.45
KMT2A Q03164 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
POLB P06746 1/20 0.45
IRAK1 P51617 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
PPARG P37231 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7354759 0.90 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2MITFMAPT
SCHEMBL3354019 0.87 HTR7 (0.50) ALDH1A1RAB9ASMN1; SMN2HTR7MAPT
SCHEMBL3062365 0.84 HTR7 (0.47) ALDH1A1RAB9ASMN1; SMN2HTR7MAPT
SCHEMBL13139566 0.83 HTR7 (0.53) ALDH1A1RAB9ASMN1; SMN2HTR7MAPT
SCHEMBL3356633 0.82 HTR7 (0.50) ALDH1A1HTR7MAPTNPC1
SCHEMBL2873839 0.81 KMT2A (0.54) RAB9AHTR7NPC1KMT2APOLB
SCHEMBL2870320 0.81 KMT2A (0.54) RAB9AHTR7NPC1KMT2APOLB
SCHEMBL3356235 0.80 HTR7 (0.50) ALDH1A1HTR7MAPTNPC1KMT2A
SCHEMBL3871316 0.80 MCL1 (0.47) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL3312100 0.80 HTR7 (0.57) ALDH1A1RAB9ASMN1; SMN2HTR7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US 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
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

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 ALDH1A1 2031/4885RAB9A 3399/4885SMN1; SMN2 1258/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB ALDH1A1 1551/4885RAB9A 181/4885SMN1; SMN2 3917/4885
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 ALDH1A1 2031/4885RAB9A 3399/4885SMN1; SMN2 1258/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 ALDH1A1 2031/4885RAB9A 3399/4885SMN1; SMN2 1258/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 ALDH1A1 2031/4885RAB9A 3399/4885SMN1; SMN2 1258/4885

“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.