SCHEMBL4850283

SCHEMBL4850283

COc1cc(COc2nn(-c3ccccc3)cc2/C=C/c2nnc(C)o2)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
KDM4E B2RXH2 6/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 6/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PPARA Q07869 5/20 0.33
SIRT1 Q96EB6 2/20 0.33
RECQL P46063 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL4850291 1.00 PPARG (0.46) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4852652 0.93 PPARG (0.44) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4852647 0.93 PPARG (0.44) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4849028 0.91 PPARG (0.45) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4849036 0.91 PPARG (0.45) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4850758 0.91 PPARG (0.45) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4850764 0.91 PPARG (0.45) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4850487 0.89 PPARG (0.47) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4849066 0.89 PPARG (0.47) PPARGKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL4849072 0.89 PPARG (0.47) PPARGKDM4EMAPTSMN1; SMN2TSHR

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 536/4885KDM4E 719/4885MAPT 4700/4885

“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.