SCHEMBL2295676

SCHEMBL2295676

CCCC[n+]1ccn(CC)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL21173939 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1CYP3A4
SCHEMBL34626 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDMEN1CYP3A4
SCHEMBL5546185 0.87 HTT (0.39) KDM4EALDH1A1HPGDMEN1CYP3A4
SCHEMBL2230706 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1CYP3A4
Sulfuric Acid SCHEMBL5169476 0.85 FDPS (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL34909 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1CYP3A4
Sulfuric Acid SCHEMBL5930927 0.83 FDPS (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL3187868 0.83 FDPS (0.41) MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL5930932 0.82 FDPS (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL2295678 0.82 FDPS (0.43) MEN1KMT2AHTTSMN1; SMN2

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
US-8003822-B2 Process for continuous carbonylation by supported ionic liquid-phase catalysis WACKER CHEMIE AG (DE) 2011-08-23 US claimed
EP-1883616-B1 A PROCESS FOR CONTINUOUS CARBONYLATION BY SUPPORTED IONIC LIQUID-PHASE CATALYSIS WACKER CHEMIE AG (DE) 2009-09-30 EP claimed
US-20090030229-A1 Process for continuous carbonylation by supported ionic liquid-phase catalysis WACKER CHEMIE AG (DE) 2009-01-29 US claimed
EP-1883616-A1 A PROCESS FOR CONTINUOUS CARBONYLATION BY SUPPORTED IONIC LIQUID-PHASE CATALYSIS Danmarks Tekniske Universitet (DK) 2008-02-06 EP claimed
EP-1663921-B1 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AG (DE) 2007-05-02 EP claimed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US claimed
WO-2006122563-A1 A PROCESS FOR CONTINUOUS CARBONYLATION BY SUPPORTED IONIC LIQUID-PHASE CATALYSIS DANMARKS TEKNISKE UNIVERSITET (DK) 2006-11-23 WO claimed
EP-1650328-B1 METHOD FOR FORMING OXIDE FILM ON METAL SURFACE USING IONIC LIQUID, ELECTROLYTIC CAPACITOR AND ELECTROLYTE THEREOF KANEKA CORP (JP) 2016-10-19 EP disclosed
EP-2540875-A1 Electrolytic capacitor including ionic liquid in electrolyte KANEKA CORPORATION (JP) 2013-01-02 EP disclosed
US-8014128-B2 Method for forming oxide film on metal surface using ionic liquid, electrolytic capacitor and electrolyte thereof KANEKA CORPORATION (JP) 2011-09-06 US disclosed
US-8003822-B2 Process for continuous carbonylation by supported ionic liquid-phase catalysis WACKER CHEMIE AG (DE) 2011-08-23 US disclosed
US-7746623-B2 Electrolytic capacitor and electrolyte thereof KANEKA CORPORATION (JP) 2010-06-29 US disclosed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US disclosed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US disclosed
WO-2006122563-A1 A PROCESS FOR CONTINUOUS CARBONYLATION BY SUPPORTED IONIC LIQUID-PHASE CATALYSIS DANMARKS TEKNISKE UNIVERSITET (DK) 2006-11-23 WO disclosed
US-20060181835-A1 Method for forming oxide film on metal surface using ionic liquid, electrolytic capacitor and electrolyte thereof KANEKA CORPORATION (JP) 2006-08-17 US disclosed
EP-1650328-A1 METHOD FOR FORMING OXIDE FILM ON METAL SURFACE USING IONIC LIQUID, ELECTROLYTIC CAPACITOR AND ELECTROLYTE THEREOF KANEKA CORPORATION (JP) 2006-04-26 EP disclosed
US-6995293-B2 Method for the production of aldehydes CELANESE CHEMICALS EUROPE GMBH (DE) 2006-02-07 US disclosed
US-20050085671-A1 Method for the production of aldehydes DRACHENFELSSEE 521. VV GMBH (TO BE RENAMED OXEA DEUTSCHLAND GMBH) (DE) 2005-04-21 US disclosed
EP-1400504-A1 Process for the preparation of aldehydes Celanese Chemicals Europe GmbH (DE) 2004-03-24 EP 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-20070055084-A1 Method for producing haloalkanes from alcohols ADH1C, HDHD5, ADH5 KDM4E 2710/4885ALDH1A1 493/4885HPGD 796/4885
US-20090030229-A1 Process for continuous carbonylation by supported ionic liquid-phase catalysis SOD1, OGDH, LPO KDM4E 442/4885ALDH1A1 547/4885HPGD 1805/4885
US-20050085671-A1 Method for the production of aldehydes ACSL3, ACSL5, TST KDM4E 3715/4885ALDH1A1 116/4885HPGD 1247/4885

“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.