SCHEMBL4845327

SCHEMBL4845327

CCOC(=O)c1cn(Cc2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
ADORA3 P0DMS8 12/20 0.38
ADORA2A P29274 12/20 0.38
ADORA1 P30542 11/20 0.38
ADORA2B P29275 5/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4846728 0.94 PPARG (0.43) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4853530 0.93 PPARG (0.40) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4852926 0.93 PPARG (0.43) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4854332 0.92 PPARG (0.45) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4845680 0.92 PPARG (0.39) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4848634 0.92 PPARG (0.39) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4847085 0.92 PPARG (0.39) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4847886 0.92 PPARG (0.48) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4848061 0.91 PPARG (0.43) PPARGADORA3ADORA2AADORA1ADORA2B
SCHEMBL4845269 0.91 ADORA3 (0.39) PPARGADORA3ADORA2AADORA1ADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PPARG 536/4885ADORA3 2821/4885ADORA2A 4142/4885

“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.