SCHEMBL5506679

SCHEMBL5506679

Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
ADORA1 P30542 6/20 0.51
LMNA P02545 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
PDE4D Q08499 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL5503933 0.93 MAPT (0.70) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL5712810 0.91 MAPT (0.65) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL5712873 0.90 MEN1 (0.64) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL6998940 0.90 MEN1 (0.63) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL6992785 0.90 MAPT (0.63) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL7001450 0.88 KMT2A (0.61) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL6994209 0.87 MAPT (0.60) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL19475110 0.87 MAPT (0.72) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL5712840 0.82 ADORA1 (0.76) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL5506528 0.79 GAA (0.66) KMT2AMEN1MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP claimed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 EP claimed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US claimed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP claimed
WO-1999021617-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RES INC (US) 1999-09-10 WO claimed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO claimed
EP-1390740-A4 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A 1? ADENOSINE RECEPTOR LIGANDS FOR THE A 1? ADENOSINE RECEPTOR ENDACEA INC (US) 2007-04-04 EP disclosed
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 EP disclosed
US-20040121406-A1 Methods and formulations for increasing the affinity of a1 adenosine receptor ligands for the a1 adenosine receptor ENDACEA, INC. 2004-06-24 US disclosed
EP-1390740-A1 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A 1? ADENOSINE RECEPTOR LIGANDS FOR THE A 1? ADENOSINE RECEPTOR Endacea, Inc. (US) 2004-02-25 EP disclosed
WO-2002095391-A1 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A1 ADENOSINE RECEPTOR LIGANDS FOR THE A1 ADENOSINE RECEPTOR ENDACEA INC. (US) 2002-11-28 WO disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP disclosed
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 US disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO disclosed