SCHEMBL4290971

SCHEMBL4290971

CC(=O)c1cc(Br)c2c(c1)NC(=O)CO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PKM P14618 1/20 0.39
NR3C2 P08235 3/20 0.39
GAA P10253 2/20 0.39
MMP12 P39900 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL4286907 0.87 GAA (0.44) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL4291156 0.85 ALDH1A1 (0.44) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL28998391 0.85 ALDH1A1 (0.44) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL4291175 0.84 ALDH1A1 (0.45) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL4291222 0.84 NR3C2 (0.50) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL4289205 0.82 NR3C2 (0.45) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL4290010 0.81 TSHR (0.41) ALDH1A1MAPTPDE3BPDE3ANR3C2
SCHEMBL4289231 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL1730697 0.80 ALDH1A1 (0.39) ALDH1A1MAPTPDE3BPDE3APKM
SCHEMBL4297177 0.80 MAPT (0.46) ALDH1A1MAPTPDE3BPDE3APKM

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 ALDH1A1 2708/4885MAPT 4442/4885PDE3B 486/4885

“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.