SCHEMBL4288461

SCHEMBL4288461

O=C1COc2ccc(C3=Cc4ccccc4OC3c3ccccc3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.49
NR3C1 P04150 5/20 0.49
PGR P06401 5/20 0.49
AR P10275 3/20 0.49
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.45
PARP1 P09874 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MMP12 P39900 1/20 0.42

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
SCHEMBL8238941 0.89 NR3C2 (0.46) NR3C2NR3C1PGRARKMT2A
SCHEMBL4289236 0.89 NR3C2 (0.46) NR3C2NR3C1PGRARKMT2A
SCHEMBL4286687 0.87 MAPT (0.54) NR3C2NR3C1PGRARKMT2A
SCHEMBL4299902 0.86 MAPT (0.53) NR3C2NR3C1PGRARKMT2A
SCHEMBL4293996 0.86 NR3C2 (0.44) NR3C2NR3C1PGRARKMT2A
SCHEMBL4297091 0.85 NR3C2 (0.43) NR3C2NR3C1PGRARKMT2A
SCHEMBL4286906 0.84 PARP1 (0.44) NR3C2NR3C1PGRARKMT2A
SCHEMBL4295952 0.83 NR3C1 (0.43) NR3C2NR3C1PGRARKMT2A
SCHEMBL4291199 0.82 PARP1 (0.43) NR3C2NR3C1PGRARKMT2A
SCHEMBL4291418 0.81 PARP1 (0.41) NR3C2NR3C1PGRARKMT2A

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 6 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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
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
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 NR3C2 1/4885NR3C1 2/4885PGR 408/4885

“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.