SCHEMBL4850332

SCHEMBL4850332

CCOC(=O)c1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=O)cc3OC)c(C)o2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
PPARA Q07869 7/20 0.39
PPARG P37231 7/20 0.39
TNFRSF1A P19438 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4846925 0.91 PPARA (0.36) ERN1PPARAPPARGTNFRSF1APTGER4
SCHEMBL4846938 0.91 PPARA (0.36) ERN1PPARAPPARGTNFRSF1APTGER4
SCHEMBL4848265 0.90 TNFRSF1A (0.35) ERN1PPARAPPARGTNFRSF1APTGER4
SCHEMBL4852875 0.90 TNFRSF1A (0.35) ERN1PPARAPPARGTNFRSF1APTGER4
SCHEMBL4848274 0.90 TNFRSF1A (0.35) ERN1PPARAPPARGTNFRSF1APTGER4
SCHEMBL4852970 0.89 PPARG (0.39) PPARAPPARGPTGER4PTGER2MAPT
SCHEMBL4854129 0.85 PPARG (0.37) PPARAPPARGPTGER4PTGER2MAPT
SCHEMBL4854142 0.85 PPARG (0.37) PPARAPPARGPTGER4PTGER2MAPT
SCHEMBL4845536 0.84 PPARG (0.46) PPARAPPARGMAPT
SCHEMBL4852537 0.84 PPARA (0.36) PPARAPPARGTNFRSF1APTGER4PTGER2

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 ERN1 2446/4885PPARA 519/4885PPARG 536/4885

“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.