SCHEMBL4290883

SCHEMBL4290883

CC(=O)N1CC(c2ccccc2)C(c2ccc3c(c2)NC(=O)CO3)=N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
NR3C2 P08235 12/20 0.54
AR P10275 5/20 0.54
NR3C1 P04150 4/20 0.54
PGR P06401 3/20 0.54
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL4295501 0.89 NR3C2 (0.53) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4293826 0.88 NR3C2 (0.51) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4288429 0.86 NR3C2 (0.57) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4290825 0.83 NR3C2 (0.56) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4295836 0.82 NR3C2 (0.54) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4297385 0.82 NR3C2 (0.55) KDM4EALDH1A1NR3C2ARNR3C1
SCHEMBL4290948 0.80 NR3C2 (0.54) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4302037 0.80 NR3C2 (0.54) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4297408 0.79 NR3C2 (0.52) KDM4EALDH1A1HPGDNR3C2AR
SCHEMBL4288373 0.79 NR3C2 (0.54) NR3C2ARNR3C1PGRMAPT

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 KDM4E 3035/4885ALDH1A1 2708/4885HPGD 281/4885

“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.