SCHEMBL4286863

SCHEMBL4286863

O=C1COc2ccc(-c3nn(CCO)cc3-c3ccccc3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 7/20 0.52
KMT2A Q03164 2/20 0.51
NR3C2 P08235 9/20 0.49
PGR P06401 4/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NSD2 O96028 1/20 0.45
AR P10275 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4300305 0.86 RXFP1 (0.53) RXFP1MAPTKMT2ANR3C2PGR
SCHEMBL4293610 0.76 RXFP1 (0.63) RXFP1MAPTKMT2ANR3C2PGR
SCHEMBL304764 0.74 MAPT (0.62) RXFP1MAPTKMT2ANR3C2PGR
SCHEMBL4296496 0.74 MAPT (0.62) RXFP1MAPTKMT2ANR3C2THRB
SCHEMBL11484651 0.73 PTGIR (0.66) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL13772941 0.73 PTGIR (0.51) MAPTKMT2AALDH1A1
SCHEMBL5697055 0.72 MAPT (0.53) RXFP1MAPTKMT2ANR3C2PGR
SCHEMBL3489841 0.72 NR3C2 (0.82) NR3C2PGRAR
SCHEMBL4297101 0.72 NR3C2 (0.76) RXFP1MAPTNR3C2PGRNSD2
SCHEMBL4297385 0.71 NR3C2 (0.55) RXFP1KMT2ANR3C2PGRKDM4E

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 4 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
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 RXFP1 381/4885MAPT 4442/4885KMT2A 2408/4885

“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.