SCHEMBL4845693

SCHEMBL4845693

Cc1oc(-c2ccco2)nc1COc1ccc(CCl)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
ANO1 Q5XXA6 1/20 0.42
ALDH1A1 P00352 8/20 0.39
HPGD P15428 8/20 0.39
HSD17B10 Q99714 7/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
KDR P35968 1/20 0.39
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
RAB9A P51151 4/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARA Q07869 3/20 0.36
NPC1 O15118 3/20 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
SCHEMBL4851038 0.91 PPARG (0.50) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL4848828 0.88 PPARG (0.50) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL1731572 0.88 PPARG (0.58) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL1732725 0.88 PPARG (0.62) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL4845689 0.87 PPARG (0.53) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL4850066 0.82 PPARG (0.49) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL4850788 0.82 PPARG (0.47) PPARGANO1ALDH1A1HPGDHSD17B10
SCHEMBL4033057 0.82 FFAR1 (0.48) PPARGALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4851771 0.82 KDR (0.55) PPARGKDRPPARA
SCHEMBL4033219 0.82 PPARG (0.43) PPARGANO1ALDH1A1HPGDHSD17B10

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 536/4885ANO1 2735/4885ALDH1A1 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.