SCHEMBL1073274

SCHEMBL1073274

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MALT1 Q9UDY8 2/20 0.33
MAPK1 P28482 1/20 0.33
MIF P14174 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
GPBAR1 Q8TDU6 7/20 0.32
NQO2 P16083 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1075200 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1MALT1MAPK1LMNA
SCHEMBL1073973 0.81 SMN1; SMN2 (0.35) MALT1
SCHEMBL1073238 0.79 GRM5 (0.37) ALDH1A1L3MBTL1MAPK1NPC1RAB9A
SCHEMBL1073633 0.78 PTGS2 (0.48) ALDH1A1L3MBTL1
SCHEMBL1075665 0.78 PTGS2 (0.34) LMNAMAPTTSHRGPBAR1
SCHEMBL1224856 0.77 GRM5 (0.36) LMNAMAPTTSHRCYP2C9
SCHEMBL1225604 0.77 GPBAR1 (0.35) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL19953168 0.71 SMN1; SMN2 (0.36)
SCHEMBL1073760 0.70 POLB (0.36) LMNATSHRCYP2C9
SCHEMBL1075218 0.69 HSP90AA1 (0.35) ALDH1A1MAPK1NPC1RAB9ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2522/4885L3MBTL1 3138/4885MALT1 572/4885

“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.