SCHEMBL4291045

SCHEMBL4291045

O=C1COc2ncc(C3=Cn4ccnc4SC3c3ccccc3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.54
AR P10275 5/20 0.54
NR3C1 P04150 5/20 0.54
PGR P06401 3/20 0.54
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
NSD2 O96028 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL4286804 0.87 NR3C2 (0.69) NR3C2ARNR3C1PGRPARP1
SCHEMBL4288213 0.84 NR3C2 (0.52) NR3C2ARNR3C1PGRPARP1
SCHEMBL4286505 0.79 NR3C2 (0.45) NR3C2ARNR3C1PGRPARP1
SCHEMBL8238352 0.78 NR3C2 (0.59) NR3C2ARNR3C1PGR
SCHEMBL4296399 0.77 NR3C2 (0.45) NR3C2ARNR3C1PGR
Hydrochloric Acid SCHEMBL4293685 0.77 NR3C2 (0.58) NR3C2ARNR3C1PGR
SCHEMBL4290812 0.76 NR3C2 (0.46) NR3C2ARNR3C1PGR
SCHEMBL4300273 0.76 NR3C2 (0.49) NR3C2ARNR3C1PGR
SCHEMBL4290850 0.76 NR3C2 (0.50) NR3C2ARNR3C1PGRPARP1
SCHEMBL4295637 0.72 NR3C2 (0.51) NR3C2ARNR3C1PGR

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 4 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
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 1/4885AR 60/4885NR3C1 2/4885

“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.