SCHEMBL952396

SCHEMBL952396

CN(C)/C=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.54
MAOB P27338 2/20 0.50
GRM5 P41594 1/20 0.47
CHAT P28329 2/20 0.44
RECQL P46063 2/20 0.43
TRPA1 O75762 2/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL81307 1.00 RELA (0.54) RELAMAOBGRM5CHATRECQL
Hydrochloric Acid SCHEMBL9225053 0.97 RELA (0.52) RELAMAOBGRM5CHATRECQL
Water SCHEMBL27350733 0.97 RELA (0.52) RELAMAOBGRM5CHATRECQL
Ethylene Glycol SCHEMBL28698002 0.89 RELA (0.45) RELAMAOBGRM5CHATRECQL
Styrene SCHEMBL26089496 0.89 ALDH1A1 (0.58) RELAMAOBGRM5CHATRECQL
SCHEMBL4993147 0.85 ALDH1A1 (0.43) RELAMAOBGRM5CHATRECQL
SCHEMBL5428211 0.84 RELA (0.54) RELAMAOBGRM5CHATTRPA1
SCHEMBL5428210 0.84 RELA (0.54) RELAMAOBGRM5CHATTRPA1
Benzoic Acid SCHEMBL29066270 0.84 RECQL (0.55) MAOBRECQLGLATDP1ALDH1A1
SCHEMBL27964093 0.83 MAOB (0.64) RELAMAOBGRM5CHATRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57028046-A None JP disclosed
US-11773052-B2 Enamine compound and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-10-03 US disclosed
EP-2729463-B1 SUBSTITUTED PHENYL COMPOUNDS SANOFI SA (FR) 2015-07-29 EP disclosed
US-8785642-B2 Process for preparing 6-substituted-1-(2H)-isoquinolinones and intermediate compound SANOFI (FR) 2014-07-22 US disclosed
EP-2729463-A1 SUBSTITUTED PHENYL COMPOUNDS SANOFI (FR) 2014-05-14 EP disclosed
US-8716481-B2 Process for the preparation of 6-substituted-1-(2H)-isoquinolinones SANOFI (FR) 2014-05-06 US disclosed
WO-2013007502-A1 SUBSTITUTED PHENYL COMPOUNDS SANOFI (FR) 2013-01-17 WO disclosed
US-20130012711-A1 SUBSTITUTED PHENYL COMPOUNDS SANOFI (FR) 2013-01-10 US disclosed
US-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2240441-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES Sanofi-Aventis (FR) 2010-10-20 EP disclosed
EP-1178040-A1 Nickel catalyzed addition of -NH- containing compounds to vinyl and aryl halides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-02-06 EP disclosed
EP-1065934-A1 COMBINATION OF GLYPHOSATE AND A TRIAZOLINONE HERBICIDE MONSANTO COMPANY (US) 2001-01-10 EP disclosed
US-6127318-A POSTEMERGENT HERBICIDE MIXTURE ALLOWS RAPID UPTAKE BY THE TARGET PLANT, EARLY VISUAL SYMPTOMS OF PLANT TREATMENT, AND CONTROL OF A BROAD SPECTRUM OF WEED SPECIES MONSANTO COMPANY (US) 2000-10-03 US disclosed
US-6103937-A PRODUCING UNSATURATED NITROGEN CONTAINING COMPOUNDS SUCH AS ENAMIDES, ENAMINES AND ARYL AMINESLAMIDES USING AS CATALYST NICKEL AND AN ORGANOPHOSPHINE OR CARBENE LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-15 US disclosed
WO-1999051099-A1 COMBINATION OF GLYPHOSATE AND A TRIAZOLINONE HERBICIDE MONSANTO COMPANY (US) 1999-10-14 WO disclosed
EP-0912510-A1 NICKEL CATALYZED ADDITION OF -NH- CONTAINING COMPOUNDS TO VINYL AND ARYL HALIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-05-06 EP disclosed
WO-1998000399-A1 NICKEL CATALYZED ADDITION OF -NH- CONTAINING COMPOUNDS TO VINYL AND ARYL HALIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-01-08 WO disclosed
JP-S5728046-A PREPARATION OF 4-SUBSTITUTED INDOLE NISSAN CHEM IND LTD 1982-02-15 JP disclosed
US-4082768-A NEW IMIDES OF UNSATURATED DICARBOXYLIC ACIDS, PROCESSES FOR THEIR MANUFACTURE, AND THEIR USE CIBA-GEIGY CORPORATION (US) 1978-04-04 US disclosed
US-3960812-A DIELECTRICS, MECHANICAL PROPERTIES CIBA-GEIGY CORPORATION (US) 1976-06-01 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 (3 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-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES CYP1B1, CYP1A1, NQO1 RELA 404/4885MAOB 296/4885GRM5 2534/4885
US-11773052-B2 Enamine compound and use thereof ENY2, AHR, PAH RELA 1904/4885MAOB 35/4885GRM5 1245/4885
US-20130012711-A1 SUBSTITUTED PHENYL COMPOUNDS PAH, NQO1, CYP1B1 RELA 330/4885MAOB 96/4885GRM5 2142/4885

“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.