SCHEMBL4843727

SCHEMBL4843727

COC(=O)c1ccccc1-c1nc(COc2ccc(COc3nn(-c4ccccc4)cc3C=O)cc2OC)c(C)o1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4843928 0.91 PPARG (0.43) PPARGPPARAKMT2AMEN1LMNA
SCHEMBL4847764 0.90 PPARG (0.42) PPARGPPARAKMT2ALMNAMAPT
SCHEMBL4850375 0.89 VDR (0.36) VDRPPARGPPARAKMT2AMEN1
SCHEMBL4850366 0.89 VDR (0.36) VDRPPARGPPARAKMT2AMEN1
SCHEMBL4843821 0.89 MAPT (0.46) PPARGPPARAKMT2AMEN1MAPT
SCHEMBL4845204 0.88 PPARG (0.42) VDRPPARGPPARAKMT2ALMNA
SCHEMBL4845536 0.87 PPARG (0.46) PPARGPPARAMAPT
SCHEMBL4843717 0.87 PPARG (0.40) PPARGPPARAKMT2ALMNAMAPT
SCHEMBL4852970 0.86 PPARG (0.39) PPARGPPARAKMT2AMEN1LMNA
SCHEMBL4850456 0.86 PPARG (0.44) PPARGPPARALMNAMAPTCYP2C9

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 VDR 1346/4885PPARG 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.