SCHEMBL1074053

SCHEMBL1074053

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.40
PDE4B Q07343 5/20 0.37
PDE4D Q08499 4/20 0.37
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM1A O60341 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 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
SCHEMBL1074241 0.91 SMN1; SMN2 (0.36) IDO1TDO2SMN1; SMN2EGFRPTGS1
SCHEMBL1074296 0.90 GRM1 (0.40) GRM1PDE4BPDE4DSMN1; SMN2EGFR
SCHEMBL1073998 0.89 PDE4B (0.38) GRM1PDE4BPDE4DIDO1TDO2
SCHEMBL1110867 0.89 PIK3CA (0.40) IDO1TDO2SMN1; SMN2PTGS1PTGS2
SCHEMBL1225381 0.88 PIK3CA (0.42) SMN1; SMN2PTGS1PTGS2TSHRHTT
SCHEMBL1076571 0.88 SMN1; SMN2 (0.38) IDO1TDO2SMN1; SMN2PTGS1PTGS2
SCHEMBL1073735 0.88 SMN1; SMN2 (0.41) IDO1TDO2SMN1; SMN2EGFRTSHR
SCHEMBL1074256 0.87 GRM1 (0.43) GRM1PDE4BPDE4DIDO1TDO2
SCHEMBL1075378 0.85 PIK3CA (0.34) IDO1TDO2SMN1; SMN2EGFRPTGS1
SCHEMBL1081059 0.84 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTT

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 GRM1 1277/4885PDE4B 784/4885PDE4D 1386/4885

“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.