SCHEMBL4287095

SCHEMBL4287095

O=C1COc2ccc(C(=O)C(Br)c3ccccc3)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
ALDH1A1 P00352 5/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 3/20 0.56
PKM P14618 1/20 0.56
NR3C2 P08235 4/20 0.52
RXFP1 Q9HBX9 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
KMT2A Q03164 1/20 0.48
SMYD3 Q9H7B4 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL4300353 0.89 ALDH1A1 (0.54) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4286384 0.89 ALDH1A1 (0.51) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4288506 0.88 ALDH1A1 (0.56) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4297102 0.88 ALDH1A1 (0.53) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4290884 0.88 ALDH1A1 (0.53) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4298422 0.88 MAPT (0.52) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4291086 0.85 GAA (0.60) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4293904 0.85 GAA (0.54) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4290643 0.84 MAPT (0.61) GAAALDH1A1LMNAMAPTPKM
SCHEMBL4291656 0.84 MAPT (0.53) GAAALDH1A1LMNAMAPTPKM

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 GAA 4763/4885ALDH1A1 2708/4885LMNA 2152/4885

“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.