SCHEMBL4850671

SCHEMBL4850671

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
PPARG P37231 13/20 0.44
PPARA Q07869 13/20 0.44
KDR P35968 1/20 0.44
FFAR1 O14842 1/20 0.42
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 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
SCHEMBL4844221 0.89 KDR (0.56) PPARGPPARAKDRFFAR1
SCHEMBL4850044 0.88 KDR (0.43) MAPTPPARGPPARAKDRFFAR1
SCHEMBL4853517 0.87 PPARG (0.49) KDM4ENPC1ALDH1A1MAPTPPARG
SCHEMBL5385723 0.86 FFAR1 (0.40) KDM4ENPC1ALDH1A1MAPTPPARG
SCHEMBL4844075 0.86 PPARG (0.45) KDM4EALDH1A1PPARGPPARAKDR
SCHEMBL4846895 0.86 ALDH1A1 (0.46) KDM4ENPC1ALDH1A1MAPTPPARG
SCHEMBL4848923 0.85 PPARG (0.45) KDM4EALDH1A1MAPTPPARGPPARA
SCHEMBL4848921 0.85 PPARG (0.45) KDM4EALDH1A1MAPTPPARGPPARA
SCHEMBL4843713 0.84 PPARG (0.42) MAPTPPARGPPARAKDRFFAR1
SCHEMBL4843699 0.84 PPARG (0.42) MAPTPPARGPPARAKDRFFAR1

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 KDM4E 719/4885NPC1 822/4885ALDH1A1 821/4885

“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.