SCHEMBL4845585

SCHEMBL4845585

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2C=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.38
PPARA Q07869 18/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4851896 0.90 PPARG (0.36) PPARGPPARAKDM4EALDH1A1
SCHEMBL4851972 0.90 PPARG (0.36) PPARGPPARAKDM4EALDH1A1
SCHEMBL4844075 0.90 PPARG (0.45) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4846962 0.88 NPC1 (0.36) PPARGPPARAALDH1A1RAB9ASMN1; SMN2
SCHEMBL4848460 0.85 PPARG (0.51) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4852616 0.85 PPARG (0.43) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4852721 0.83 PPARG (0.43) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4852731 0.82 PPARG (0.40) PPARGPPARAKDM4EALDH1A1POLB
SCHEMBL4848923 0.81 PPARG (0.45) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4848921 0.81 PPARG (0.45) PPARGPPARAKDM4EMEN1ALDH1A1

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 536/4885PPARA 519/4885KDM4E 719/4885

“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.