SCHEMBL4269971

SCHEMBL4269971

CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
ACACA Q13085 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL13952581 0.91 GAA (0.53) GAAACACAMEN1KMT2ANPC1
SCHEMBL4257646 0.88 KMT2A (0.51) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4264864 0.86 ACACA (0.52) GAAACACAMEN1KMT2ACYP3A4
SCHEMBL4263263 0.85 GAA (0.47) GAAACACAMEN1KMT2ACYP3A4
SCHEMBL4271084 0.84 GAA (0.46) GAAACACAMEN1KMT2ANPC1
SCHEMBL13952370 0.84 GAA (0.46) GAAACACAMEN1KMT2ACYP3A4
SCHEMBL4257699 0.83 GAA (0.67) GAAMEN1KMT2ACYP3A4NPC1
SCHEMBL4263874 0.83 MEN1 (0.48) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4272061 0.83 KMT2A (0.50) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4257443 0.83 ACACA (0.48) GAAACACAMEN1KMT2ANPC1

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 1001/4885ACACA 210/4885MEN1 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.