SCHEMBL499361

SCHEMBL499361

CNCc1c(C)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 11/20 0.55
GRIN3B O60391 11/20 0.55
GRIN1 Q05586 11/20 0.55
GRIN2A Q12879 11/20 0.55
GRIN2B Q13224 11/20 0.55
GRIN2C Q14957 11/20 0.55
GRIN3A Q8TCU5 11/20 0.55
GRIA1 P42261 7/20 0.50
GRIA2 P42262 7/20 0.50
GRIA3 P42263 7/20 0.50
GRIA4 P48058 7/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GRIK1 P39086 1/20 0.50
BLM P54132 1/20 0.50
GRIK2 Q13002 1/20 0.50

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
Hydrochloric Acid SCHEMBL4931576 0.99 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7567792 0.86 GRIA1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7957834 0.83 GRIN1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7958056 0.82 GRIA1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7464140 0.82 GRIA1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3684717 0.81 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7456666 0.80 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7460818 0.80 GRIA1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7460048 0.79 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7957837 0.78 GRIA1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US claimed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US claimed
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity NEURAXON, INC (CA) 2008-09-04 US claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US claimed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US claimed
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-06-12 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8618286-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-12-31 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-6191134-B1 STROKE THERAPY, ANTIISCHEMIC AGENTS, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2001-02-20 US disclosed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
US-6096744-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 2000-08-01 US disclosed
US-6063774-A NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-16 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed
WO-1997046539-A1 AMIDE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-11 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 (7 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 GRIN2D 530/4885GRIN3B 218/4885GRIN1 136/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 GRIN2D 530/4885GRIN3B 218/4885GRIN1 136/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A GRIN2D 7/4885GRIN3B 6/4885GRIN1 4/4885
US-20080214613-A1 Substituted benzimidazole compounds with dual NOS inhibitory activity and mu opioid agonist activity OPRM1, NOS1, OPRK1 GRIN2D 403/4885GRIN3B 83/4885GRIN1 167/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GRIN2D 530/4885GRIN3B 218/4885GRIN1 136/4885
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 GRIN2D 665/4885GRIN3B 166/4885GRIN1 133/4885
US-20140163016-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GRIN2D 1254/4885GRIN3B 669/4885GRIN1 128/4885

“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.