SCHEMBL1074015

SCHEMBL1074015

COc1ccc(F)c(-c2c(Cl)nc(C)n2-c2ccc(Cl)c(F)c2)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.39
CYP2C9 P11712 2/20 0.36
PDE4B Q07343 3/20 0.36
PDE4D Q08499 2/20 0.36
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.35
P2RX7 Q99572 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1074426 0.89 PDE4B (0.37) GRM1PDE4BPDE4DPTGS2PTGS1
SCHEMBL1073760 0.89 POLB (0.36) CYP2C9PTGS2PTGS1HPGD
SCHEMBL1224856 0.88 GRM5 (0.36) CYP2C9PTGS2PTGS1
SCHEMBL1075218 0.88 HSP90AA1 (0.35) CYP2C9PTGS2PTGS1BRD9ALDH1A1
SCHEMBL1074053 0.83 GRM1 (0.40) GRM1PDE4BPDE4DPTGS2PTGS1
SCHEMBL1074755 0.81 SMN1; SMN2 (0.37) PDE4BP2RX7CYP1A2
SCHEMBL1074256 0.80 GRM1 (0.43) GRM1PDE4BPDE4DBRD9
SCHEMBL19953168 0.78 SMN1; SMN2 (0.36) PTGS2PTGS1
SCHEMBL1074241 0.77 SMN1; SMN2 (0.36) PTGS2PTGS1BRD9ALDH1A1CYP1A2
SCHEMBL1075665 0.77 PTGS2 (0.34) PTGS2PTGS1

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 9 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
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed
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 GRM1 1277/4885CYP2C9 33/4885PDE4B 784/4885

“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.