SCHEMBL1075642

SCHEMBL1075642

N#Cc1ccc(F)c(-c2c(Cl)nc(Br)n2-c2ccc(Cl)cc2)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
KHK P50053 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL1074860 0.85 POLB (0.36) EGLN2KDM4EALDH1A1GLAGAA
SCHEMBL1074869 0.78 AR (0.36) EGLN2KDM4EALDH1A1GLAGAA
SCHEMBL1075253 0.77 KCNH2 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1905559 0.77 KCNH2 (0.35)
SCHEMBL1076492 0.75 PTGS2 (0.44)
SCHEMBL1900183 0.74 KDM4E (0.35) EGLN2KDM4EMEN1KMT2A
SCHEMBL1075200 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1904366 0.72 ALDH1A1 (0.35) EGLN2KDM4EALDH1A1HPGD
SCHEMBL1076433 0.72 KCNH2 (0.35)
SCHEMBL1904353 0.71 MAPK14 (0.34) ALDH1A1GAA

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 EGLN2 3751/4885KDM4E 788/4885ALDH1A1 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.