SCHEMBL4850706

SCHEMBL4850706

COc1cc(COc2nn(Cc3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
FFAR1 O14842 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL4852754 0.91 FFAR1 (0.42) KDRFFAR1PTPN2PTPN1PPARG
SCHEMBL4850700 0.90 PPARG (0.50) PPARGPPARAMAPTLMNAALDH1A1
SCHEMBL4845536 0.88 PPARG (0.46) KDRFFAR1PTPN2PTPN1PPARG
SCHEMBL4847025 0.88 FFAR1 (0.45) KDRFFAR1PPARGPPARAMAPT
SCHEMBL4846867 0.88 PPARG (0.47) PPARGPPARAMAPTLMNAALDH1A1
SCHEMBL4848645 0.87 KDR (0.58) KDRFFAR1PTPN2PTPN1PPARG
SCHEMBL4851654 0.87 FFAR1 (0.53) KDRFFAR1PTPN2PTPN1PPARG
SCHEMBL4852793 0.86 KDR (0.49) KDRFFAR1PTPN2PTPN1PPARG
SCHEMBL4843359 0.86 FFAR1 (0.43) KDRFFAR1PPARGPPARAMAPT
SCHEMBL5398011 0.86 FFAR1 (0.45) KDRFFAR1PPARGPPARAMAPT

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 KDR 2335/4885FFAR1 771/4885PTPN2 2555/4885

“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.