SCHEMBL4851874

SCHEMBL4851874

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(Cc3ccccc3)cc2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.41
ADORA2A P29274 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
KDR P35968 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5374488 0.98 FFAR1 (0.39) FFAR1PPARGPPARAADORA2ASMN1; SMN2
SCHEMBL4848574 0.92 KDR (0.45) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4850429 0.91 PPARG (0.45) PPARGPPARAADORA2ASMN1; SMN2NPC1
SCHEMBL4846962 0.90 NPC1 (0.36) PPARGPPARAADORA2ASMN1; SMN2NPC1
SCHEMBL4851654 0.89 FFAR1 (0.53) FFAR1PPARGPPARASMN1; SMN2NPC1
SCHEMBL4852692 0.89 PPARG (0.41) PPARGPPARAADORA2ASMN1; SMN2NPC1
SCHEMBL6593504 0.89 FFAR1 (0.42) FFAR1PPARGPPARAADORA2ASMN1; SMN2
SCHEMBL6593508 0.89 FFAR1 (0.42) FFAR1PPARGPPARAADORA2ASMN1; SMN2
SCHEMBL4848139 0.88 PPARG (0.41) PPARGPPARAADORA2ASMN1; SMN2NPC1
SCHEMBL4846867 0.88 PPARG (0.47) PPARGPPARAADORA2ASMN1; SMN2NPC1

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 FFAR1 771/4885PPARG 536/4885PPARA 519/4885

“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.