SCHEMBL4301983

SCHEMBL4301983

CNCc1cc(N(C)C)ccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.54
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
MAPK13 O15264 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK12 P53778 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL16574997 0.81 SIRT2 (0.50) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL14479709 0.80 MEN1 (0.45) SIRT2ALDH1A1
SCHEMBL9480589 0.79 KDM4E (0.47) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL15211555 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL7664616 0.77 KDM4E (0.50) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL29907776 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL4308808 0.77 ALDH1A1 (0.50) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL31182983 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL15212887 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1MAOAMAOB
SCHEMBL4307694 0.77 KDM4E (0.46) SIRT2KDM4EALDH1A1MAOAMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415493-A Use of metal complexes as oxidation catalysts CIBA SC HOLDING AG (CH) 2009-04-22 CN disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
EP-1981635-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba Holding Inc. (CH) 2008-10-22 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 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 (1 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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 SIRT2 577/4885KDM4E 3219/4885ALDH1A1 984/4885

“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.