SCHEMBL4295938

SCHEMBL4295938

NC1=NC=C(c2ccc3c(n2)NC(=O)CO3)C(c2ccccc2)S1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 15/20 0.43
NR3C1 P04150 4/20 0.42
AR P10275 3/20 0.41
PGR P06401 2/20 0.41
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL4289404 0.80 NR3C2 (0.60) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4290850 0.77 NR3C2 (0.50) NR3C2NR3C1ARPGRPARP1
SCHEMBL4286505 0.73 NR3C2 (0.45) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4290368 0.72 NR3C2 (0.43) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4288454 0.72 NR3C2 (0.43) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4290666 0.71 NR3C2 (0.58) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4293819 0.68 NR3C2 (0.60) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4290789 0.68 NR3C2 (0.60) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL4288508 0.67 NR3C2 (0.67) NR3C2NR3C1ARPGRALDH1A1
SCHEMBL655255 0.66 NR3C2 (0.47) NR3C2NR3C1ALDH1A1MAPTHPGD

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 1/4885NR3C1 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.