SCHEMBL4290690

SCHEMBL4290690

O=C1COc2ccc(C(=O)/C=C/c3ccccc3)cc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
LMNA P02545 2/20 1.00
MAPT P10636 6/20 0.73
PKM P14618 1/20 0.73
GAA P10253 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NR3C2 P08235 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
STAT3 P40763 1/20 0.49
CYP1B1 Q16678 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
SCHEMBL4260351 1.00 ALDH1A1 (1.00) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL27956874 0.88 ALDH1A1 (0.79) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL27956879 0.86 ALDH1A1 (0.74) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL4264613 0.85 ALDH1A1 (0.73) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL13932266 0.85 ALDH1A1 (0.73) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL5308812 0.85 ALDH1A1 (1.00) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL4267374 0.80 ALDH1A1 (0.67) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL13932080 0.80 ALDH1A1 (0.67) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL19261885 0.80 ALDH1A1 (0.66) ALDH1A1LMNAMAPTPKMGAA
SCHEMBL4654077 0.79 GAA (0.76) ALDH1A1LMNAMAPTPKMGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755659-B 6-cinnamon acyl-2H-benzo [b] [1, 4] oxazine-3 (4H)-ketone compound and application thereof UNIV SHANDONG 2015-07-15 CN disclosed
CN-103755659-A 6-cinnamon acyl-2H-benzo [b] [1, 4] oxazine-3 (4H)-ketone compound and application thereof UNIV SHANDONG 2014-04-30 CN 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
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 2708/4885LMNA 2152/4885MAPT 4442/4885

“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.