SCHEMBL4257699

SCHEMBL4257699

CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ADORA3 P0DMS8 10/20 0.54
ADORA1 P30542 5/20 0.54
ADORA2A P29274 2/20 0.54
ADORA2B P29275 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4267649 0.91 GAA (0.55) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4263637 0.89 GAA (0.53) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4272840 0.85 GAA (0.52) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4267000 0.85 GAA (0.51) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4260231 0.84 GAA (0.50) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4262459 0.84 GAA (0.50) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4265738 0.84 GAA (0.50) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4262403 0.84 GAA (0.52) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4259906 0.84 GAA (0.50) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4269971 0.83 GAA (0.62) GAAADORA3ADORA1ADORA2AKMT2A

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 1001/4885ADORA3 591/4885ADORA1 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.