SCHEMBL1075253

SCHEMBL1075253

N#Cc1nc(Cl)c(-c2c(F)ccc(F)c2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
AOC3 Q16853 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MIF P14174 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL1076433 0.81 KCNH2 (0.35) KCNH2AOC3MIF
SCHEMBL1075463 0.79 POLB (0.41) KDM4E
SCHEMBL1075642 0.77 EGLN2 (0.33) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1074860 0.77 POLB (0.36) KCNH2KDM4EALDH1A1HPGDNPSR1
SCHEMBL1075285 0.70 POLB (0.35) KCNH2AOC3KDM4EGAA
SCHEMBL1076197 0.70 POLB (0.38) KDM4E
SCHEMBL1076165 0.70 POLB (0.36) KCNH2KDM4E
SCHEMBL1074169 0.70 NPC1 (0.41) KCNH2AOC3MIF
SCHEMBL19953050 0.69 POLB (0.33) KCNH2AOC3KDM4EGAA
SCHEMBL1074869 0.69 AR (0.36) KDM4EALDH1A1HPGDNPSR1RXFP1

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 KCNH2 518/4885AOC3 63/4885KDM4E 788/4885

“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.