SCHEMBL4290378

SCHEMBL4290378

O=C1COc2c(Cl)cc(C(=O)Cc3ccc(F)cc3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NR3C2 P08235 4/20 0.47
NR3C1 P04150 2/20 0.47
PGR P06401 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 3/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 1/20 0.43
AR P10275 1/20 0.41
IL4I1 Q96RQ9 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MGLL Q99685 2/20 0.40

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
SCHEMBL4286608 0.89 NR3C2 (0.46) ALDH1A1NR3C2NR3C1PGRKDM4E
SCHEMBL4286243 0.87 NR3C2 (0.48) ALDH1A1NR3C2NR3C1PGRKDM4E
SCHEMBL4290782 0.81 ALDH1A1 (0.65) ALDH1A1NR3C2KDM4EMAPT
SCHEMBL4292779 0.77 NR3C2 (0.50) ALDH1A1NR3C2NR3C1PGRMAPT
SCHEMBL4287097 0.76 ALDH1A1 (0.43) ALDH1A1NR3C2NR3C1PGRKDM4E
SCHEMBL4290858 0.75 NR3C2 (0.45) ALDH1A1NR3C2NR3C1PGRMAPT
SCHEMBL4290862 0.75 NR3C2 (0.45) ALDH1A1NR3C2NR3C1PGRMAPT
SCHEMBL4291175 0.74 ALDH1A1 (0.45) ALDH1A1NR3C2NR3C1PGRKDM4E
SCHEMBL4287057 0.74 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTCASP3SENP7
SCHEMBL4169081 0.73 ALDH1A1 (0.60) ALDH1A1NR3C2NR3C1PGRKDM4E

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 2708/4885NR3C2 1/4885NR3C1 2/4885

“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.