SCHEMBL4273355

SCHEMBL4273355

CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3cccc(O)c3)cc(-c3ccccc3)n2)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ADORA1 P30542 8/20 0.46
ADORA3 P0DMS8 6/20 0.46
ADORA2A P29274 3/20 0.46
GAA P10253 1/20 0.46
ADORA2B P29275 3/20 0.43
DGAT1 O75907 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4263637 0.93 GAA (0.53) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4267000 0.92 GAA (0.51) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4258743 0.91 KMT2A (0.47) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4268162 0.90 KMT2A (0.47) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4258722 0.90 ADORA3 (0.52) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4267115 0.90 KMT2A (0.50) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4259884 0.90 KMT2A (0.46) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4259768 0.89 KMT2A (0.47) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4272840 0.89 GAA (0.52) KMT2AMEN1ADORA1ADORA3ADORA2A
SCHEMBL4263755 0.88 KMT2A (0.49) KMT2AMEN1ADORA1ADORA3ADORA2A

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 KMT2A 410/4885MEN1 4668/4885ADORA1 570/4885

“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.