SCHEMBL4293904

SCHEMBL4293904

O=C1COc2ccc(C(=O)C(Br)c3ccccc3Br)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
ALDH1A1 P00352 7/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 2/20 0.50
NR3C2 P08235 3/20 0.48
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4288271 0.88 CASP3 (0.55) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4293599 0.88 GAA (0.53) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4293850 0.88 ALDH1A1 (0.53) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4287095 0.85 GAA (0.60) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4300353 0.81 ALDH1A1 (0.54) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4286384 0.81 ALDH1A1 (0.51) GAAALDH1A1MAPTLMNAPKM
SCHEMBL10648089 0.80 ALDH1A1 (0.61) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4290402 0.80 NR3C2 (0.52) GAAALDH1A1MAPTPKMNR3C2
SCHEMBL4724608 0.80 GAA (0.52) GAAALDH1A1MAPTLMNAPKM
SCHEMBL4290847 0.80 GAA (0.57) GAAALDH1A1MAPTLMNAPKM

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 GAA 4763/4885ALDH1A1 2708/4885MAPT 4442/4885

“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.