SCHEMBL4286466

SCHEMBL4286466

O=C(Cc1ccccc1)c1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OGT O15294 1/20 0.46
NOS3 P29474 3/20 0.45
NOS1 P29475 3/20 0.45
NOS2 P35228 3/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRA2A P08913 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ENPP2 Q13822 1/20 0.45
PLAU P00749 1/20 0.45

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
SCHEMBL10429678 0.80 OGT (0.51) KDM4EALDH1A1RAB9ASMN1; SMN2OGT
SCHEMBL19513027 0.80 KDM4E (0.56) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL25139890 0.80 KDM4E (0.56) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL823908 0.80 ALDH1A1 (0.78) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL1421351 0.79 NOS1 (0.56) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL12694458 0.76 NOS1 (0.54) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL11217426 0.75 CDC25B (0.54) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL9131214 0.75 NOS1 (0.51) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL2315044 0.74 NOS1 (0.59) KDM4EALDH1A1OGTNOS3NOS1
SCHEMBL14333454 0.74 NOS1 (0.54) KDM4EALDH1A1OGTNOS3NOS1

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 KDM4E 3035/4885ALDH1A1 2708/4885RAB9A 3552/4885

“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.