SCHEMBL4850465

SCHEMBL4850465

COc1cc(CO)ccc1OCc1sc(-c2ccccc2)nc1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.54
FFAR1 O14842 8/20 0.53
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.43

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
SCHEMBL1732996 0.89 PPARD (0.52) PPARDFFAR1TP53PTGDR2MAPT
SCHEMBL4847898 0.84 NPC1 (0.48) NPC1POLBRAB9APTGDR2GAA
SCHEMBL4854113 0.82 PPARD (0.53) PPARDFFAR1TP53NPC1RAB9A
SCHEMBL31725848 0.76 NPC1 (0.63) NPC1POLBRAB9AMAPTLMNA
SCHEMBL698056 0.76 NPC1 (0.63) NPC1POLBRAB9AMAPTLMNA
SCHEMBL4851206 0.75 PPARD (0.44) PPARDFFAR1TP53POLBMAPT
SCHEMBL6243768 0.75 PPARD (0.73) PPARDFFAR1MAPT
SCHEMBL2097759 0.74 FFAR1 (0.53) PPARDFFAR1TP53NPC1RAB9A
SCHEMBL4038141 0.74 KDR (0.67) PPARDFFAR1TP53NPC1POLB
SCHEMBL3077683 0.74 SMN1; SMN2 (0.56) PPARDFFAR1TP53NPC1POLB

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 PPARD 745/4885FFAR1 771/4885TP53 4408/4885

“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.