SCHEMBL4288352

SCHEMBL4288352

O=C1COc2ccc(C(=O)Cc3ccccn3)cc2N1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MAPT P10636 7/20 0.61
PKM P14618 1/20 0.57
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
RXFP1 Q9HBX9 3/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
POLB P06746 2/20 0.52
USP2 O75604 1/20 0.52
BLM P54132 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PTGES O14684 1/20 0.52

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
SCHEMBL4293605 0.82 ALDH1A1 (0.68) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL4724607 0.81 ALDH1A1 (0.58) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL14073349 0.80 PARP1 (0.56) ALDH1A1MAPTPOLBLMNA
SCHEMBL4293569 0.79 ALDH1A1 (0.60) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL4287081 0.78 ALDH1A1 (0.79) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL4287139 0.78 ALDH1A1 (0.66) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL4293962 0.78 ALDH1A1 (0.62) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL4291546 0.78 ALDH1A1 (0.62) ALDH1A1MAPTPKMKDM4EGAA
SCHEMBL21061906 0.78 MGLL (0.57) ALDH1A1MAPTPKMGAALMNA
SCHEMBL30541726 0.78 MGLL (0.57) 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.