SCHEMBL4843702

SCHEMBL4843702

COc1cc(COc2nn(-c3ccccc3)cc2C=C2SC(=O)N(C)C2=O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PTPN1 P18031 2/20 0.44
CDC25B P30305 1/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
ENPP2 Q13822 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
AKR1B1 P15121 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4843689 1.00 PPARG (0.46) PPARGPTPN1CDC25BMEN1KMT2A
SCHEMBL4854170 0.89 PPARG (0.49) PPARGPTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL4854163 0.89 PPARG (0.49) PPARGPTPN1MEN1KMT2ASMN1; SMN2
SCHEMBL4848460 0.87 PPARG (0.51) PPARGMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4846774 0.85 PPARG (0.49) PPARGPTPN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4846762 0.85 PPARG (0.49) PPARGPTPN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4845632 0.84 PPARG (0.48) PPARGMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL4848296 0.84 PPARG (0.48) PPARGPTPN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4854145 0.84 PPARG (0.48) PPARGPTPN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4848285 0.84 PPARG (0.48) PPARGPTPN1SMN1; SMN2MAPK1ALDH1A1

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 536/4885PTPN1 1274/4885CDC25B 4355/4885

“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.