SCHEMBL4290782

SCHEMBL4290782

O=C1COc2ccc(C(=O)Cc3ccc(F)cc3)cc2N1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MAPT P10636 4/20 0.65
KDM4E B2RXH2 2/20 0.62
NR3C2 P08235 2/20 0.55
PKM P14618 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TSHR P16473 1/20 0.54
PARP1 P09874 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL4288577 0.88 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EPKML3MBTL1
SCHEMBL4287057 0.88 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EPKML3MBTL1
SCHEMBL4293605 0.88 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EPKML3MBTL1
SCHEMBL4288026 0.85 NR3C2 (0.64) ALDH1A1MAPTKDM4ENR3C2PKM
SCHEMBL4295502 0.84 MAPT (0.72) ALDH1A1MAPTKDM4EPKML3MBTL1
SCHEMBL4764188 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ENR3C2PKM
SCHEMBL4286608 0.82 NR3C2 (0.46) ALDH1A1MAPTKDM4ENR3C2TSHR
SCHEMBL12125705 0.82 MAPT (0.55) ALDH1A1MAPTKDM4ENR3C2RXFP1
SCHEMBL4290378 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ENR3C2
SCHEMBL4287081 0.81 ALDH1A1 (0.79) ALDH1A1MAPTKDM4EPKMRXFP1

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 ALDH1A1 2708/4885MAPT 4442/4885KDM4E 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.