SCHEMBL4854170

SCHEMBL4854170

COc1cc(COc2nn(-c3ccccc3)cc2C=C2SC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PTPN1 P18031 6/20 0.43
CISD1 Q9NZ45 2/20 0.40
GSK3B P49841 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TTR P02766 1/20 0.38
BLM P54132 1/20 0.38
PLA2G1B P04054 1/20 0.38

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
SCHEMBL4854163 1.00 PPARG (0.49) PPARGMEN1KMT2APTPN1CISD1
SCHEMBL4843702 0.89 PPARG (0.46) PPARGMEN1KMT2APTPN1ALDH1A1
SCHEMBL4843689 0.89 PPARG (0.46) PPARGMEN1KMT2APTPN1ALDH1A1
SCHEMBL4848460 0.87 PPARG (0.51) PPARGMEN1KMT2AALDH1A1KDM4E
SCHEMBL4846762 0.85 PPARG (0.49) PPARGPTPN1ALDH1A1KDM4EMAPT
SCHEMBL4846774 0.85 PPARG (0.49) PPARGPTPN1ALDH1A1KDM4EMAPT
SCHEMBL4854145 0.84 PPARG (0.48) PPARGPTPN1ALDH1A1KDM4EMAPT
SCHEMBL4845632 0.84 PPARG (0.48) PPARGMEN1KMT2AALDH1A1KDM4E
SCHEMBL4848296 0.84 PPARG (0.48) PPARGPTPN1ALDH1A1KDM4EMAPT
SCHEMBL4848285 0.84 PPARG (0.48) PPARGPTPN1ALDH1A1KDM4EMAPT

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 536/4885MEN1 3268/4885KMT2A 1792/4885

“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.