SCHEMBL4258722

SCHEMBL4258722

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.52
ADORA1 P30542 5/20 0.52
ADORA2B P29275 3/20 0.52
GAA P10253 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA2A P29274 3/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTB4R Q15722 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42

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 0.91 GAA (0.53) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4271189 0.91 ADORA1 (0.48) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4263664 0.90 S1PR1 (0.46) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4259884 0.90 KMT2A (0.46) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4258743 0.90 KMT2A (0.47) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4273355 0.90 KMT2A (0.49) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4262513 0.89 ADORA3 (0.48) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4268162 0.89 KMT2A (0.47) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4260891 0.88 KMT2A (0.46) ADORA3ADORA1ADORA2BGAAKMT2A
SCHEMBL4267115 0.88 KMT2A (0.50) ADORA3ADORA1ADORA2BGAAKMT2A

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 ADORA3 591/4885ADORA1 570/4885ADORA2B 1551/4885

“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.