SCHEMBL1073998

SCHEMBL1073998

COc1cc(F)c(-c2c(Cl)nc(Cl)n2-c2ccc(Cl)c(F)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.38
PDE4D Q08499 6/20 0.38
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
EGFR P00533 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GRM1 Q13255 1/20 0.34
KDM1A O60341 1/20 0.34
CYP11B2 P19099 1/20 0.32

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
SCHEMBL1074053 0.89 GRM1 (0.40) PDE4BPDE4DIDO1TDO2EGFR
SCHEMBL1074585 0.89 PDE4B (0.37) PDE4BPDE4DEGFRGRM1KDM1A
SCHEMBL1074799 0.87 GLA (0.39) IDO1TDO2EGFRPTGS1PTGS2
SCHEMBL1073004 0.85 PDE4B (0.41) PDE4BPDE4DIDO1TDO2GRM1
SCHEMBL1071650 0.84 CYP1A2 (0.35)
SCHEMBL1075073 0.83 PTGS1 (0.35) IDO1TDO2EGFRPTGS1PTGS2
SCHEMBL1074426 0.83 PDE4B (0.37) PDE4BPDE4DEGFRPTGS1PTGS2
SCHEMBL1073719 0.83 PDE4B (0.44) PDE4BPDE4DIDO1TDO2GRM1
SCHEMBL19953120 0.82 USP2 (0.38) IDO1TDO2PTGS1PTGS2
SCHEMBL1074021 0.82 PTGS1 (0.35) IDO1TDO2EGFRPTGS1PTGS2

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.