SCHEMBL499303

SCHEMBL499303

CSc1ccc(Cl)c(NC(=N)N(C)c2cccc([S@@+](C)[O-])c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL499302 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6846356 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7743328 0.99 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL29370312 0.89 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL499356 0.89 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL6420655 0.87 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2593943 0.85 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14126031 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6847040 0.84 P2RX7 (0.37) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL6717121 0.83 GRIN2D (0.46) 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 68 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
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP claimed
EP-1888568-A4 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON INC (CA) 2009-08-12 EP claimed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO 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
EP-1903028-A1 Conjugates of glutamate and NMDA receptor channel blockers without excito-toxic effects Tschollar,, Werner (CH) 2008-03-26 EP claimed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO claimed
WO-2007017764-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS WITH DUAL NOS INHIBITORY ACTIVITY AND MUOPIOID AGONIST ACTIVITY NEURAXON, INC. (CA) 2007-02-15 WO claimed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US claimed
US-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2006-07-20 US claimed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO claimed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO 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
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP claimed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP claimed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060160776-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cannabinoid agent for the treatment of central nervous system damage CNR2, CNR1, PTGS2 GRIN2D 457/4885GRIN3B 172/4885GRIN1 304/4885
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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 GRIN2D 665/4885GRIN3B 166/4885GRIN1 133/4885

“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.