SCHEMBL4340562

SCHEMBL4340562

Oc1cc(-c2cc(Cl)ccn2)nc(-c2cc(Cl)ccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 2/20 0.36
MAP4K4 O95819 1/20 0.36
GRM5 P41594 3/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
KDM4B O94953 3/20 0.33
KDM5C P41229 3/20 0.33
KDM5B Q9UGL1 3/20 0.33
KDM4A O75164 2/20 0.33
KDM6B O15054 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33

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
SCHEMBL4339744 0.89 CCR1 (0.56) CCR1CCR5CCR8MAPTSMN1; SMN2
SCHEMBL27620339 0.84 MAPT (0.42) CCR1CCR5CCR8MAPTMEN1
SCHEMBL23348867 0.82 CCR1 (0.47) CCR1CCR5CCR8MAPTMEN1
SCHEMBL4304654 0.82 CYP19A1 (0.35) CCR1CCR5CCR8MAPTMEN1
SCHEMBL2538923 0.78 CCR1 (0.63) CCR1CCR5CCR8SMN1; SMN2GRM5
SCHEMBL827247 0.78 CCR1 (0.48) CCR1CCR5CCR8MAPTSMN1; SMN2
SCHEMBL12501424 0.74 CCR1 (0.40) CCR1CCR5CCR8MAPTMEN1
SCHEMBL31074836 0.71 CCR1 (0.46) CCR1CCR5CCR8MAPTMEN1
SCHEMBL11186207 0.71 MAPT (0.34) CCR1CCR5CCR8MAPTMEN1
SCHEMBL11187972 0.71 LMNA (0.37) CCR1CCR5CCR8MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 US disclosed
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 US disclosed
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20090189119-A1 Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202 WIEPRECHT TORSTEN 2009-07-30 US disclosed
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-04-03 US disclosed
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-04-03 US disclosed
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts SCHLINGLOFF GUNTHER 2008-04-03 US disclosed
US-20080000032-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 CORP. 2008-01-03 US disclosed
US-7138363-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-11-21 US disclosed
EP-1703976-A2 USE OF METAL COMPLEX COMPOUNDS COMPRISING PYRIDINE, PYRIMIDINE OR S-TRIAZINE DERIVED LIGANDS AS CATALYSTS FOR OXIDATIONS WITH ORGANIC PEROXY ACIDS AND/OR PRECURSORS OF ORGANIC PEROXY ACIDS AND H2O2 Ciba Specialty Chemicals Holding Inc. (CH) 2006-09-27 EP disclosed
EP-1703977-A1 USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS Ciba SC Holding AG (CH) 2006-09-27 EP disclosed
EP-1556467-B1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SC HOLDING AG (CH) 2006-07-05 EP disclosed
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2006-03-09 US 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-2004039934-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 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 (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-20080000032-A1 Use of Metal Complexes Having Bispyridylpyrimidine or Bispyridyltriazine Ligands as Catalysts for Reactions With Peroxy Compounds for Bleaching Coloured Stains on Hard Surfaces TYR, DPY30, TET2 CCR1 4748/4885CCR5 4158/4885CCR8 4766/4885
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 CCR1 2788/4885CCR5 2847/4885CCR8 4077/4885
US-20080081908-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 CCR1 2788/4885CCR5 2847/4885CCR8 4077/4885

“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.