SCHEMBL1074544

SCHEMBL1074544

Fc1cccc(-n2c(Cl)nc(Cl)c2-c2c(F)cc(F)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KEAP1 Q14145 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
NOTUM Q6P988 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
DHODH Q02127 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
MGAM O43451 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
SCHEMBL1075012 0.87 KDM4E (0.34) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL1071650 0.87 CYP1A2 (0.35) ALDH1A1DHODH
SCHEMBL1074563 0.86 NOTUM (0.37) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL1075411 0.86 NOTUM (0.37) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL3992001 0.85 FAAH (0.38) ALDH1A1LMNAHPGDFAAHMGLL
SCHEMBL1073004 0.83 PDE4B (0.41) IDO1TDO2PDE4BPDE4D
SCHEMBL1073917 0.82 KCNH2 (0.36) IDO1TDO2
SCHEMBL18707647 0.80 NOTUM (0.39) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL1074038 0.79 KDM4E (0.34) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL3917260 0.78 MAPT (0.39) GAANOTUMPDE4B

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 KDM4E 788/4885GAA 1616/4885ALDH1A1 2522/4885

“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.