SCHEMBL776048

SCHEMBL776048

c1ccc(-c2ccnc(-c3ccccn3)n2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
ALOX15 P16050 4/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
LMNA P02545 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
TP53 P04637 3/20 0.67
CCR1 P32246 3/20 0.67
CCR5 P51681 3/20 0.67
CCR8 P51685 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 2/20 0.67
ALPL P05186 2/20 0.67
HSP90AA1 P07900 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
MAPK1 P28482 1/20 0.67
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 2/20 0.64

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
SCHEMBL12824407 0.93 KDM4E (0.71) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL6535045 0.91 KDM4E (0.67) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL11972746 0.85 NPC1 (0.74) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL1181563 0.85 KDM4E (0.88) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL9486704 0.85 KDM4E (0.59) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL22147393 0.85 NPC1 (0.54) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL580823 0.83 KDM4E (0.75) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL3036765 0.83 KDM4E (0.82) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL31268013 0.83 KDM4E (0.75) KDM4EALOX15L3MBTL1LMNATDP1
SCHEMBL1414907 0.81 KDM4E (0.60) KDM4EALOX15L3MBTL1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP claimed
EP-4296345-A2 BLEACHING USING PEROXYFORMIC ACID AND AN OXYGEN CATALYST Ecolab USA Inc. (US) 2023-12-27 EP disclosed
EP-3642318-B1 BLEACHING USING PEROXYFORMIC ACID AND AN OXYGEN CATALYST ECOLAB USA INC (US) 2023-12-06 EP disclosed
EP-3642318-A1 BLEACHING USING PEROXYFORMIC ACID AND AN OXYGEN CATALYST Ecolab USA, Inc. (US) 2020-04-29 EP disclosed
US-10494591-B2 Bleaching using peroxyformic acid and an oxygen catalyst ECOLAB USA INC. (US) 2019-12-03 US disclosed
US-20180371373-A1 BLEACHING USING PEROXYFORMIC ACID AND AN OXYGEN CATALYST ECOLAB USA INC. 2018-12-27 US disclosed
WO-2018237255-A1 BLEACHING USING PEROXYFORMIC ACID AND AN OXYGEN CATALYST ECOLAB USA INC. (US) 2018-12-27 WO disclosed
WO-2018033610-A1 LIGANDS, ELECTROCHROMIC METALLO-POLYMERS OBTAINED THEREWITH AND THEIR USE JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2018-02-22 WO disclosed
EP-3284801-A1 LIGANDS, ELECTROCHROMIC METALLO-POLYMERS OBTAINED THEREWITH AND THEIR USE Julius-Maximilians-Universität Würzburg (DE) 2018-02-21 EP disclosed
US-20160225471-A1 FUNCTIONAL CONDUCTING POLYMERS FOR REDOX MEDIATED SEPARATIONS OF F-ELEMENTS UNIV TEXAS (US) 2016-08-04 US disclosed
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2006-03-09 US disclosed
EP-1625196-A1 STABLE PARTICULATE COMPOSITION COMPRISING BLEACH CATALYSTS Ciba SC Holding AG (CH) 2006-02-15 EP disclosed
WO-2005105303-A1 USE OF METAL COMPLEXES HAVING BISPYRIDYLPYRIMIDINE OR BISPYRIDYLTRIAZINE LIGANDS AS CATALYSTS FOR REACTIONS WITH PEROXY COMPOUNDS FOR BLEACHING COLOURED STAINS ON HARD SURFACES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO disclosed
WO-2005105303-A1 USE OF METAL COMPLEXES HAVING BISPYRIDYLPYRIMIDINE OR BISPYRIDYLTRIAZINE LIGANDS AS CATALYSTS FOR REACTIONS WITH PEROXY COMPOUNDS FOR BLEACHING COLOURED STAINS ON HARD SURFACES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO disclosed
WO-2005068075-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
WO-2005068074-A2 USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE PRYIMIDINE OR S-TRIAZNE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACID AND H2O2 CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-07-28 WO disclosed
EP-1556467-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
WO-2004104155-A1 STABLE PARTICULATE COMPOSITION COMPRISING BLEACH CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-02 WO disclosed
WO-2004039934-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 WO disclosed
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 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 (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-20060052265-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 KDM4E 2650/4885ALOX15 646/4885L3MBTL1 630/4885

“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.