SCHEMBL4307694

SCHEMBL4307694

CN(C)c1ccnc(CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SIRT2 Q8IXJ6 12/20 0.46
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL31182983 1.00 KDM4E (0.46) KDM4EALDH1A1SIRT2CHRM5CHKA
Hydrochloric Acid SCHEMBL10503994 0.98 SIRT2 (0.44) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL9480589 0.82 KDM4E (0.47) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL4311559 0.81 KDM4E (0.38) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL29907776 0.80 KDM4E (0.46) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL4308808 0.80 ALDH1A1 (0.50) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL15211555 0.80 KDM4E (0.46) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL15212887 0.80 KDM4E (0.46) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL7664616 0.80 KDM4E (0.50) KDM4EALDH1A1SIRT2CHRM5CHKA
SCHEMBL27474726 0.78 KDM4E (0.50) KDM4EALDH1A1SIRT2CHRM5CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533297-B2 Ligands designed to provide highly active catalyst complexes CARNEGIE MELLON UNIVERSITY (US) 2017-01-03 US disclosed
US-20150087795-A1 LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES CARNEGIE MELLON UNIVERSITY 2015-03-26 US disclosed
WO-2013126745-A2 LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES CARNEGIE MELLON UNIVERSITY (US) 2013-08-29 WO 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 KDM4E 3219/4885ALDH1A1 984/4885SIRT2 577/4885

“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.