SCHEMBL499309

SCHEMBL499309

O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1C=C1CCN(c2ccccc2)C1=O

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.59
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR17 Q13304 1/20 0.48

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
SCHEMBL499308 1.00 GRIN1 (0.59) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL4422661 0.99 GRIN1 (0.58) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL4422653 0.99 GRIN1 (0.58) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8190768 0.94 GRIN1 (0.55) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8190756 0.94 GRIN1 (0.55) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8181079 0.93 GRIN1 (0.54) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8181067 0.93 GRIN1 (0.54) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL1720270 0.91 GRIN1 (0.52) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL30521938 0.91 GRIN1 (0.52) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8181069 0.85 MEN1 (0.49) GRIN1MEN1LMNACYP1A2MAPK1

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 99 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
EP-2407454-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2012-01-18 EP claimed
US-20110319463-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AS ACTIVE INGREDIENTS Saten Pharamaceuticals Co., Ltd. (JP) 2011-12-29 US claimed
JP-2011526251-A 2011-10-06 JP claimed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US claimed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP 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-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 EP claimed
EP-2220074-A1 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY Neuraxon, INC. (CA) 2010-08-25 EP 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-0966463-A1 CRYSTALLINE HYDRATED SODIUM SALT OF (E)-4,6-DICHLORO-3-(2-OXO-1-PHENYLPYRROLIDIN-3-YLIDENE METHYL)-1H-INDOLE-2-CARBOXYLIC ACID GLAXO WELLCOME S.p.A. (IT) 1999-12-29 EP claimed
US-5962496-A CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME SPA (IT) 1999-10-05 US claimed
WO-1998039327-A1 CRYSTALLINE HYDRATED SODIUM SALT OF (E)-4,6-DICHLORO-3-(2-OXO-1-PHENYLPYRROLIDIN-3-YLIDENE METHYL)-1H-INDOLE-2-CARBOXYLIC ACID GLAXO WELLCOME S.P.A. (IT) 1998-09-11 WO claimed
US-5760059-A ANTAGONISTS OF EXCITATORY AMINO ACIDS, TREATMENT OF NEURODEGENERATIVE DISEASES GLAXO WELLCOME SPA (IT) 1998-06-02 US claimed
EP-0723541-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1996-07-31 EP claimed
WO-1995010517-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1995-04-20 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 (4 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 GRIN1 136/4885MEN1 3810/4885LMNA 3365/4885
US-20110319463-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AS ACTIVE INGREDIENTS ALDH1A2, NEFM, QDPR GRIN1 233/4885MEN1 2599/4885LMNA 2446/4885
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 GRIN1 304/4885MEN1 4616/4885LMNA 3266/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A GRIN1 4/4885MEN1 4256/4885LMNA 4602/4885

“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.