SCHEMBL4844075

SCHEMBL4844075

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.45
PPARA Q07869 12/20 0.45
FFAR1 O14842 1/20 0.42
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL4848921 0.91 PPARG (0.45) PPARGPPARAFFAR1PTGS1PTGS2
SCHEMBL4848923 0.91 PPARG (0.45) PPARGPPARAFFAR1PTGS1PTGS2
SCHEMBL4845585 0.90 PPARG (0.38) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4843713 0.89 PPARG (0.42) PPARGPPARAFFAR1PTGS1PTGS2
SCHEMBL4843699 0.89 PPARG (0.42) PPARGPPARAFFAR1PTGS1PTGS2
SCHEMBL4845677 0.89 PPARG (0.56) PPARGPPARAFFAR1KDR
SCHEMBL4851874 0.88 FFAR1 (0.41) PPARGPPARAFFAR1ALDH1A1RAB9A
SCHEMBL4848460 0.88 PPARG (0.51) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4852616 0.87 PPARG (0.43) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL5374488 0.87 FFAR1 (0.39) PPARGPPARAFFAR1KDM4EALDH1A1

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 519/4885FFAR1 771/4885

“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.