SCHEMBL4291385

SCHEMBL4291385

O=C/C=C\c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.57
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2A P28223 5/20 0.45
KCNH2 Q12809 4/20 0.45
HTR2C P28335 4/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL2343340 1.00 NFE2L2 (0.57) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL3720644 1.00 NFE2L2 (0.57) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL7810204 0.92 NFE2L2 (0.53) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL7810200 0.92 NFE2L2 (0.53) NFE2L2PTGS1PTGS2HTR2AKCNH2
SCHEMBL31182057 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL706361 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL706360 0.83 NFE2L2 (0.57) NFE2L2CDK4CCND1
SCHEMBL12651352 0.82 XDH (0.50) NFE2L2HTR2AKCNH2HTR2CCYP1A1
SCHEMBL21676102 0.80 TDP1 (0.44) NFE2L2CDK4CCND1
SCHEMBL21631066 0.80 CDK4 (0.37) NFE2L2CDK4CCND1

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 3 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
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

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 NFE2L2 2410/4885PTGS1 437/4885PTGS2 697/4885

“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.