SCHEMBL4852293

SCHEMBL4852293

CCOC(=O)c1cn(Cc2ccccc2)nc1OCc1cccc(OCc2nc(-c3ccco3)oc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
PPARG P37231 10/20 0.41
PPARA Q07869 10/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAOB P27338 2/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4849050 0.93 FFAR1 (0.43) PPARGPPARAKMT2AMEN1HSP90AA1
SCHEMBL4846728 0.91 PPARG (0.43) PPARGPPARAKMT2AMEN1HSP90AA1
SCHEMBL5381940 0.90 FFAR1 (0.41) PPARGPPARAKMT2AMEN1HSP90AA1
SCHEMBL4847694 0.90 KDR (0.57) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4852926 0.90 PPARG (0.43) PPARGPPARAKMT2AMEN1ADORA3
SCHEMBL4853530 0.90 PPARG (0.40) PPARGPPARAKMT2AMEN1ADORA3
SCHEMBL4854332 0.89 PPARG (0.45) PPARGPPARAKMT2AMEN1ADORA3
SCHEMBL4848634 0.89 PPARG (0.39) PPARGKMT2AMEN1ADORA3ADORA2A
SCHEMBL4845680 0.89 PPARG (0.39) PPARGKMT2AMEN1ADORA3ADORA2A
SCHEMBL4847085 0.89 PPARG (0.39) PPARGPPARAKMT2AMEN1ADORA3

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 KDR 2335/4885PPARG 536/4885PPARA 519/4885

“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.