SCHEMBL4893698

SCHEMBL4893698

CCc1nc(/C=C/c2cn(-c3ccccc3)nc2OCc2ccc(OCc3nc(-c4cccc(/C(N)=N/O)c4)oc3C)c(OC)c2)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4893704 1.00 PPARG (0.34) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4893700 1.00 PPARG (0.34) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4852567 0.92 PPARG (0.39) PPARGPPARAKDRSMN1; SMN2USP2
SCHEMBL4852593 0.92 PPARG (0.39) PPARGPPARAKDRSMN1; SMN2USP2
SCHEMBL4848387 0.91 PPARG (0.37) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4848381 0.91 PPARG (0.37) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4853897 0.91 PPARG (0.37) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4852700 0.90 PPARG (0.35) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4852690 0.90 PPARG (0.35) PPARGPPARAKDRMEN1KMT2A
SCHEMBL4893703 0.90 PPARG (0.34) PPARGPPARAKDRMEN1KMT2A

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 536/4885PPARA 519/4885KDR 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.