SCHEMBL4286384

SCHEMBL4286384

O=C1COc2ccc(C(=O)C(Br)c3cccc(Br)c3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.50
AKR1B1 P15121 1/20 0.50
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.48
NR3C2 P08235 5/20 0.47
TRPV1 Q8NER1 1/20 0.46
SMYD3 Q9H7B4 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL4287095 0.89 GAA (0.60) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4290884 0.88 ALDH1A1 (0.53) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4298422 0.88 MAPT (0.52) ALDH1A1MAPTGAAAKR1B1PKM
SCHEMBL4300353 0.87 ALDH1A1 (0.54) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4291656 0.84 MAPT (0.53) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4297102 0.82 ALDH1A1 (0.53) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4288506 0.82 ALDH1A1 (0.56) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4293904 0.81 GAA (0.54) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL10648089 0.80 ALDH1A1 (0.61) ALDH1A1MAPTGAAPKMLMNA
SCHEMBL4290643 0.78 MAPT (0.61) ALDH1A1MAPTGAAPKMLMNA

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 4442/4885GAA 4763/4885

“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.