SCHEMBL4290643

SCHEMBL4290643

O=C1COc2ccc(C(=O)C(Br)c3ccc([N+](=O)[O-])cc3)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 6/20 0.49
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.44
SMYD3 Q9H7B4 1/20 0.43
NR3C2 P08235 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL4291656 0.89 MAPT (0.53) MAPTPOLBALDH1A1RAB9APKM
SCHEMBL4300353 0.85 ALDH1A1 (0.54) MAPTALDH1A1PKMGAALMNA
SCHEMBL4288506 0.84 ALDH1A1 (0.56) MAPTALDH1A1PKMGAALMNA
SCHEMBL4297102 0.84 ALDH1A1 (0.53) MAPTALDH1A1PKMGAALMNA
SCHEMBL4287095 0.84 GAA (0.60) MAPTALDH1A1PKMGAALMNA
SCHEMBL4295502 0.78 MAPT (0.72) MAPTPOLBALDH1A1RAB9APKM
SCHEMBL4286384 0.78 ALDH1A1 (0.51) MAPTALDH1A1PKMGAALMNA
SCHEMBL10648089 0.78 ALDH1A1 (0.61) MAPTPOLBALDH1A1PKMGAA
SCHEMBL4298422 0.77 MAPT (0.52) MAPTALDH1A1PKMGAALMNA
SCHEMBL4290884 0.77 ALDH1A1 (0.53) MAPTALDH1A1PKMGAALMNA

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 MAPT 4442/4885POLB 4858/4885ALDH1A1 2708/4885

“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.