SCHEMBL4262403

SCHEMBL4262403

CCOc1cc(NC(=O)CCC(=O)c2ccc(OCC)c(OCC)c2)nc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ADORA1 P30542 8/20 0.50
ADORA3 P0DMS8 7/20 0.50
ADORA2A P29274 4/20 0.50
ADORA2B P29275 2/20 0.47
DGAT1 O75907 1/20 0.44
POLB P06746 2/20 0.43
CASP6 P55212 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL4263759 0.94 MEN1 (0.56) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL13952546 0.94 ADORA3 (0.52) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4267147 0.91 MEN1 (0.45) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4263637 0.91 GAA (0.53) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4265936 0.90 ADORA3 (0.64) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4263649 0.90 ADORA1 (0.48) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4265693 0.89 KMT2A (0.50) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4272840 0.88 GAA (0.52) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4267000 0.87 GAA (0.51) GAAKMT2AMEN1ADORA1ADORA3
SCHEMBL4258722 0.86 ADORA3 (0.52) GAAKMT2AMEN1ADORA1ADORA3

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.