SCHEMBL2533014

SCHEMBL2533014

O=C(O)c1cc(N2CCCC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.50
KDM5A P29375 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
KDM5B Q9UGL1 2/20 0.50
KDM6B O15054 1/20 0.50
TET3 O43151 1/20 0.50
KDM4A O75164 1/20 0.50
BBOX1 O75936 1/20 0.50
KDM5C P41229 1/20 0.50
ASPH Q12797 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
TET2 Q6N021 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50

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
SCHEMBL10098376 0.98 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL14876289 0.97 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30489430 0.86 USP30 (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1698726 0.85 HRH4 (0.54) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL10098367 0.85 KMO (0.57) ALDH1A1KDM4EMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL14876252 0.84 KMO (0.56) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL22694423 0.84 CDK1 (0.45) ALDH1A1KDM4EKMT2AMAPTKDM5A
SCHEMBL27644149 0.83 HRH4 (0.44) ALDH1A1KDM4EKMT2AMAPTKDM5A
Ethylene SCHEMBL29031103 0.83 HRH4 (0.51) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL31704499 0.82 MAPT (0.50) ALDH1A1KDM4EMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044013-B2 Complex of manganese, titanium, nickel, copper, cobalt, iron and ligands BASF SE (DE) 2011-10-25 US disclosed
US-7692004-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-06 US disclosed
US-20090068282-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION 2009-03-12 US disclosed
US-7456285-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2008-11-25 US disclosed
US-20080262225-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-10-23 US disclosed
US-7161005-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-09 US disclosed
US-20060264633-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2006-11-23 US disclosed
EP-1383857-B1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SC HOLDING AG (CH) 2006-05-31 EP disclosed
US-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air CIBA SPECIALTY CHEMICALS CORP. 2006-01-26 US disclosed
EP-1556468-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
US-20040142843-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2004-07-22 US disclosed
WO-2004039933-A1 USE OF METAL COMPLEX COMPOUNDS AS CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 WO disclosed
EP-1383857-A2 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba SC Holding AG (CH) 2004-01-28 EP disclosed
WO-2002088289-A2 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-11-07 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 (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-20060264633-A1 Use of metal complex compounds as oxidation catalysts MICOS13, MLX, SOD1 ALDH1A1 4648/4885KDM4E 1916/4885HPGD 3008/4885
US-20060019853-A1 Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air COX14, MICOS13, OR10J3 ALDH1A1 4208/4885KDM4E 3208/4885HPGD 2245/4885
US-20080262225-A1 Use of metal complex compounds as oxidation catalysts MICOS13, MLX, RPL13 ALDH1A1 4665/4885KDM4E 2061/4885HPGD 3062/4885
US-20090068282-A1 Use of metal complex compounds as oxidation catalysts MICOS13, MLX, SOD1 ALDH1A1 4632/4885KDM4E 2055/4885HPGD 3103/4885

“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.