SCHEMBL4288358

SCHEMBL4288358

O=C1COc2ccc(C3=Cc4ccccc4SC3c3cccc(Br)c3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.55
NR3C1 P04150 6/20 0.55
AR P10275 5/20 0.55
PGR P06401 5/20 0.55
KMT2A Q03164 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PARP1 P09874 2/20 0.39
BRAF P15056 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
RAF1 P04049 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4294284 0.91 NR3C2 (0.56) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4291099 0.90 NR3C2 (0.66) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4286517 0.90 NR3C2 (0.66) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4290892 0.89 NR3C2 (0.55) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4298050 0.86 NR3C2 (0.52) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4290941 0.86 NR3C2 (0.51) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4287275 0.85 NR3C2 (0.56) NR3C2NR3C1ARPGRMAPT
SCHEMBL4289331 0.85 NR3C2 (0.56) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4291242 0.82 NR3C2 (0.53) NR3C2NR3C1ARPGRKMT2A
SCHEMBL4293620 0.80 NR3C2 (0.58) NR3C2NR3C1ARPGRKMT2A

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 2/4885AR 60/4885

“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.