SCHEMBL1075200

SCHEMBL1075200

COc1ccc(F)c(-c2c(Cl)nc(Br)n2-c2ccc(F)cc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
MALT1 Q9UDY8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
MAPK1 P28482 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
SCHEMBL1075665 0.88 PTGS2 (0.34) LMNAMAPTTSHRPTGS2PTGS1
SCHEMBL1073274 0.88 ALDH1A1 (0.37) ALDH1A1L3MBTL1LMNAMAPTTSHR
SCHEMBL1224856 0.87 GRM5 (0.36) LMNAMAPTTSHRPTGS2PTGS1
SCHEMBL19953168 0.81 SMN1; SMN2 (0.36) PTGS2PTGS1HSP90AA1HSP90B1TRAP1
SCHEMBL1075615 0.81 MEN1 (0.37) ALDH1A1MAPT
SCHEMBL1073760 0.81 POLB (0.36) LMNATSHRPTGS2PTGS1HSP90AA1
SCHEMBL1075218 0.80 HSP90AA1 (0.35) ALDH1A1LMNAMAPTPTGS2PTGS1
SCHEMBL1225604 0.80 GPBAR1 (0.35) LMNAMAPTTSHRPTGS2PTGS1
SCHEMBL1073973 0.77 SMN1; SMN2 (0.35) PTGS2PTGS1MALT1
SCHEMBL1073238 0.77 GRM5 (0.37) ALDH1A1L3MBTL1MAPTGPBAR1MAPK1

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 ALDH1A1 2522/4885L3MBTL1 3138/4885LMNA 4444/4885

“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.