SCHEMBL4259826

SCHEMBL4259826

CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3cccc(OC)c3)c3ccccc3n2)cc1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LTB4R Q15722 1/20 0.45
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
ADORA1 P30542 2/20 0.41
THRB P10828 1/20 0.41
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
SCHEMBL4257646 0.91 KMT2A (0.51) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL13952581 0.88 GAA (0.53) KMT2AMEN1GAATSHRMAPT
SCHEMBL4263874 0.86 MEN1 (0.48) KMT2AMEN1GAAMAPTADORA3
SCHEMBL4272061 0.86 KMT2A (0.50) KMT2AMEN1GAAMAPTADORA3
SCHEMBL4263263 0.86 GAA (0.47) KMT2AMEN1GAACYP3A4TSHR
SCHEMBL4258722 0.85 ADORA3 (0.52) KMT2AMEN1LTB4RGAACYP3A4
SCHEMBL4264864 0.85 ACACA (0.52) KMT2AMEN1GAACYP3A4TSHR
SCHEMBL4271084 0.83 GAA (0.46) KMT2AMEN1GAATSHRMAPT
SCHEMBL13952370 0.83 GAA (0.46) KMT2AMEN1GAACYP3A4TSHR
SCHEMBL4259747 0.83 MEN1 (0.48) KMT2AMEN1GAACYP3A4MAPT

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 4668/4885LTB4R 3889/4885

“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.