SCHEMBL4260041

SCHEMBL4260041

CCOc1ccc(C(=O)CCC(=O)Nc2cc3ccccc3c(-c3ccccc3)n2)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
DGAT1 O75907 1/20 0.47
GAA P10253 2/20 0.46
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP6 P55212 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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 0.85 KMT2A (0.51) KMT2AMEN1DGAT1GAAADORA3
SCHEMBL4265936 0.83 ADORA3 (0.64) KMT2AMEN1GAAADORA3ADORA1
SCHEMBL4263637 0.82 GAA (0.53) KMT2AMEN1DGAT1GAAADORA3
SCHEMBL4262403 0.82 GAA (0.52) KMT2AMEN1DGAT1GAAADORA3
SCHEMBL4265255 0.81 ALDH1A1 (0.45) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL4265693 0.81 KMT2A (0.50) KMT2AMEN1DGAT1GAAADORA3
SCHEMBL13952581 0.80 GAA (0.53) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL4272061 0.80 KMT2A (0.50) KMT2AMEN1DGAT1GAAADORA3
SCHEMBL4263874 0.80 MEN1 (0.48) KMT2AMEN1DGAT1GAAADORA3
SCHEMBL13952546 0.80 ADORA3 (0.52) KMT2AMEN1DGAT1GAAADORA3

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 4668/4885DGAT1 2/4885

“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.