SCHEMBL4288026

SCHEMBL4288026

O=C1COc2ccc(C(=O)Cc3ccc(F)cc3F)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.64
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 4/20 0.61
NR3C1 P04150 2/20 0.51
PGR P06401 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL4764188 0.89 ALDH1A1 (0.59) NR3C2ALDH1A1KDM4EMAPTNR3C1
SCHEMBL4287081 0.87 ALDH1A1 (0.79) ALDH1A1KDM4EMAPTRXFP1PKM
SCHEMBL4290782 0.85 ALDH1A1 (0.65) NR3C2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL4768734 0.84 ALDH1A1 (0.58) NR3C2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL4766111 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTRXFP1PKM
SCHEMBL4724540 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTRXFP1PKM
SCHEMBL4287139 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTRXFP1PKM
SCHEMBL4293962 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTRXFP1PKM
SCHEMBL4291546 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTRXFP1PKM
SCHEMBL4724780 0.78 ALDH1A1 (0.62) NR3C2ALDH1A1KDM4EMAPTNR3C1

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 1/4885ALDH1A1 2708/4885KDM4E 3035/4885

“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.