SCHEMBL1073004

SCHEMBL1073004

Fc1cc(F)c(-c2c(Cl)nc(Cl)n2-c2ccc(Cl)c(F)c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.41
PDE4D Q08499 6/20 0.41
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CYP11B2 P19099 1/20 0.35
GRM1 Q13255 1/20 0.35
AOC3 Q16853 1/20 0.33

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
SCHEMBL1073719 0.89 PDE4B (0.44) PDE4BPDE4DIDO1TDO2GRM1
SCHEMBL1225373 0.86 PDE4B (0.40) PDE4BPDE4DIDO1TDO2CYP11B2
SCHEMBL1074256 0.86 GRM1 (0.43) PDE4BPDE4DIDO1TDO2CYP11B2
SCHEMBL1073998 0.85 PDE4B (0.38) PDE4BPDE4DIDO1TDO2CYP11B2
SCHEMBL1073917 0.85 KCNH2 (0.36) IDO1TDO2AOC3
SCHEMBL1074544 0.83 KDM4E (0.35) PDE4BPDE4DIDO1TDO2
SCHEMBL2453877 0.81 POLB (0.36) IDO1TDO2CYP11B2
SCHEMBL19953120 0.80 USP2 (0.38) IDO1TDO2
SCHEMBL1074426 0.78 PDE4B (0.37) PDE4BPDE4DGRM1
SCHEMBL1074281 0.78 GRM1 (0.43) PDE4BPDE4DIDO1TDO2CYP11B2

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
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US claimed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP claimed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 PDE4B 784/4885PDE4D 1386/4885IDO1 174/4885

“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.