SCHEMBL4259906

SCHEMBL4259906

CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccc(C#N)cc3)cc(-c3ccccc3)n2)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ADORA3 P0DMS8 7/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DGAT1 O75907 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL4267285 0.92 GAA (0.45) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4263637 0.92 GAA (0.53) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4272840 0.90 GAA (0.52) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4267000 0.90 GAA (0.51) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4262459 0.89 GAA (0.50) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4265738 0.89 GAA (0.50) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4260231 0.89 GAA (0.50) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4271094 0.88 GAA (0.49) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4265781 0.87 KMT2A (0.45) GAAKMT2AMEN1ADORA3ADORA1
SCHEMBL4265531 0.87 GAA (0.48) GAAKMT2AMEN1ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 GAA 1001/4885KMT2A 410/4885MEN1 4668/4885

“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.