SCHEMBL4339936

SCHEMBL4339936

CCOC(=O)CC(=O)c1cc(Cl)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PKM P14618 1/20 0.43
ANO1 Q5XXA6 1/20 0.42
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL27028359 0.86 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15993406 0.85 PKM (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4311423 0.82 MAPT (0.47) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL27028348 0.82 NOS1 (0.45) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL743661 0.81 L3MBTL1 (0.58) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3403936 0.81 KDM4E (0.47) MAPTALDH1A1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL4217802 0.80 L3MBTL1 (0.56) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2537598 0.79 L3MBTL1 (0.54) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27911792 0.79 ALDH1A1 (0.63) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19782877 0.79 L3MBTL1 (0.56) MAPTALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3291817-B1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
EP-3291817-B1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-20180280390-A1 Heteroaryl-Pyrimidinone Compounds as PDE2 Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-04 US disclosed
EP-3291817-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-03-14 EP disclosed
WO-2016179059-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 WO disclosed
WO-2016179059-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 WO disclosed
CN-1711347-B Use of metal complex compounds as oxidation catalysts CIBA SC HOLDING AG 2010-05-26 CN disclosed
US-7612010-B2 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-03 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
CN-1711347-A Use of metal complex compounds as oxidation catalysts CIBA SC HOLDING AG (CH) 2005-12-21 CN 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-20180280390-A1 Heteroaryl-Pyrimidinone Compounds as PDE2 Inhibitors PDE2A, PDE12, PDE7B MAPT 1106/4885ALDH1A1 718/4885L3MBTL1 4540/4885
US-20060052265-A1 Use of metal complex compounds as oxidation catalysts AP1M1, MLX, SOD1 MAPT 3288/4885ALDH1A1 2149/4885L3MBTL1 630/4885
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE7B MAPT 1106/4885ALDH1A1 718/4885L3MBTL1 4540/4885

“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.