SCHEMBL4267649

SCHEMBL4267649

CCOc1cccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ADORA3 P0DMS8 7/20 0.51
ADORA1 P30542 6/20 0.51
ADORA2A P29274 2/20 0.51
ADORA2B P29275 3/20 0.50
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 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
SCHEMBL4257699 0.91 GAA (0.67) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4263637 0.86 GAA (0.53) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4258722 0.84 ADORA3 (0.52) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4271189 0.83 ADORA1 (0.48) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4258743 0.83 KMT2A (0.47) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4272840 0.83 GAA (0.52) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4268162 0.82 KMT2A (0.47) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4267000 0.82 GAA (0.51) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4259884 0.82 KMT2A (0.46) GAAADORA3ADORA1ADORA2AADORA2B
SCHEMBL4260231 0.81 GAA (0.50) GAAADORA3ADORA1ADORA2AADORA2B

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.