SCHEMBL4286907

SCHEMBL4286907

O=C1COc2c(Br)cc(C(=O)O)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 1/20 0.43
TTR P02766 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.39
NR3C2 P08235 3/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KMT2A Q03164 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL4291156 0.87 ALDH1A1 (0.44) GAAALDH1A1MAPTPKMLMNA
SCHEMBL4290971 0.87 ALDH1A1 (0.41) GAAALDH1A1MAPTPKMLMNA
SCHEMBL28998391 0.83 ALDH1A1 (0.44) GAAALDH1A1MAPTPKMLMNA
SCHEMBL20580495 0.82 GAA (0.44) GAAALDH1A1MAPTPKMLMNA
SCHEMBL4290010 0.80 TSHR (0.41) GAAALDH1A1MAPTLMNANR3C2
SCHEMBL17875671 0.79 PDE3B (0.43) ALDH1A1MAPTNR3C2PDE3BPDE3A
SCHEMBL4289231 0.79 ALDH1A1 (0.36) GAAALDH1A1MAPTPKMLMNA
SCHEMBL4296049 0.78 ALDH1A1 (0.40) GAAALDH1A1MAPTPKMSMYD3
SCHEMBL25166226 0.76 PDE3B (0.41) GAAALDH1A1MAPTNR3C2PDE3B
SCHEMBL4480236 0.76 PDE3B (0.41) ALDH1A1MAPTNR3C2PDE3BPDE3A

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 3 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
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.