SCHEMBL4844128

SCHEMBL4844128

COc1cc(COc2cc(C#N)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDR P35968 1/20 0.41
PPARG P37231 11/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARA Q07869 7/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4851773 0.86 KDR (0.48) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4848043 0.85 MAPT (0.43) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4850509 0.85 FFAR1 (0.46) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4850523 0.85 MAPT (0.46) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4845660 0.83 FFAR1 (0.54) MAPTPPARGFFAR1PPARA
SCHEMBL4853083 0.83 FFAR1 (0.43) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4853077 0.83 FFAR1 (0.43) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4852292 0.81 FFAR1 (0.39) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL4846838 0.81 PPARG (0.43) MAPTRXFP1KDRPPARGFFAR1
SCHEMBL5404374 0.81 FFAR1 (0.46) MAPTRXFP1PPARGFFAR1PPARA

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 MAPT 4700/4885RXFP1 287/4885KDR 2335/4885

“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.