SCHEMBL4289353

SCHEMBL4289353

COC(=O)COc1c(C)cc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TPMT P51580 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL11334052 0.84 MMP1 (0.45) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8240786 0.83 MEN1 (0.43) KMT2AMEN1PDGFRBFGFR1PDGFRA
SCHEMBL15517693 0.77 PTGS2 (0.51) KMT2AMEN1PDGFRBFGFR1PDGFRA
SCHEMBL531797 0.77 POLB (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL15889718 0.76 MAPT (0.40) KMT2AMEN1PDGFRBFGFR1PDGFRA
SCHEMBL29240575 0.75 TPMT (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4289394 0.74 LMNA (0.48) KMT2AMEN1PDGFRBFGFR1PDGFRA
SCHEMBL23120941 0.71 PTGS2 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27798824 0.71 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL31255362 0.71 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R KMT2A 2408/4885MEN1 400/4885PDGFRB 2032/4885

“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.