SCHEMBL4848975

SCHEMBL4848975

C=CC(c1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1)n1cncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PPARA Q07869 2/20 0.32
LMNA P02545 4/20 0.32
ALOX15 P16050 2/20 0.32
USP2 O75604 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL4843749 0.83 PPARG (0.47) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4848460 0.81 PPARG (0.51) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4852820 0.81 PPARG (0.47) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4851583 0.80 PPARG (0.50) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4851669 0.80 PPARG (0.51) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4853517 0.80 PPARG (0.49) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4852511 0.79 PPARG (0.49) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4846762 0.79 PPARG (0.49) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4846323 0.79 PPARG (0.47) PPARGSMN1; SMN2KDM4ETSHRHSD17B10
SCHEMBL4846774 0.79 PPARG (0.49) PPARGSMN1; SMN2KDM4ETSHRHSD17B10

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 536/4885SMN1; SMN2 4339/4885KDM4E 719/4885

“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.