SCHEMBL4297102

SCHEMBL4297102

O=C1COc2ccc(C(=O)C(Br)c3ccc(F)cc3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
PKM P14618 1/20 0.51
GAA P10253 2/20 0.50
NR3C2 P08235 10/20 0.49
NR3C1 P04150 6/20 0.49
PGR P06401 5/20 0.49
LMNA P02545 2/20 0.47
SMYD3 Q9H7B4 1/20 0.46

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) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4288506 0.88 ALDH1A1 (0.56) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4287095 0.88 GAA (0.60) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4298422 0.88 MAPT (0.52) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4290402 0.85 NR3C2 (0.52) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4290643 0.84 MAPT (0.61) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4292779 0.82 NR3C2 (0.50) ALDH1A1MAPTNR3C2NR3C1PGR
SCHEMBL4293850 0.82 ALDH1A1 (0.53) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL4286384 0.82 ALDH1A1 (0.51) ALDH1A1MAPTPKMGAANR3C2
SCHEMBL10648089 0.81 ALDH1A1 (0.61) ALDH1A1MAPTPKMGAANR3C2

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 5 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

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 4442/4885PKM 2524/4885

“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.