SCHEMBL4295708

SCHEMBL4295708

CC(C)(Br)C(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
PKM P14618 1/20 0.59
GAA P10253 2/20 0.57
MMP12 P39900 1/20 0.56
LMNA P02545 2/20 0.55
RXFP1 Q9HBX9 1/20 0.53
PARP1 P09874 1/20 0.52
SMYD3 Q9H7B4 1/20 0.52
POLB P06746 1/20 0.52
NR3C2 P08235 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4295240 0.85 GAA (0.59) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL352186 0.82 ALDH1A1 (0.68) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL3443973 0.81 ALDH1A1 (0.69) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL532793 0.81 GAA (0.71) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL31189953 0.81 ALDH1A1 (0.69) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL10648089 0.81 ALDH1A1 (0.61) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL24125014 0.80 ALDH1A1 (0.72) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL5913614 0.79 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL4296059 0.79 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMMP12
SCHEMBL4291442 0.79 ALDH1A1 (0.75) ALDH1A1MAPTPKMGAALMNA

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 4442/4885PKM 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.