SCHEMBL1075285

SCHEMBL1075285

Cc1nc(Cl)n(-c2ccc(Cl)cc2)c1-c1c(F)ccc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
KCNH2 Q12809 1/20 0.33
AOC3 Q16853 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GSR P00390 1/20 0.32
PIK3CA P42336 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
SCHEMBL19953097 0.92 POLB (0.33) POLBKDM4EKCNH2AOC3MEN1
SCHEMBL1076197 0.88 POLB (0.38) POLBKDM4EPDE2APDE10APIK3CA
SCHEMBL1082336 0.88 PDE2A (0.40) POLBKDM4EPDE2APDE10ANPC1
SCHEMBL1074869 0.86 AR (0.36) KDM4EMEN1GAAKMT2A
SCHEMBL1076433 0.85 KCNH2 (0.35) POLBKCNH2AOC3NPC1MAPT
SCHEMBL1076468 0.84 POLB (0.37) POLBKDM4EKCNH2AOC3MAPT
SCHEMBL1074565 0.83 PDE2A (0.37) KDM4EPDE2APDE10AGAAMAPT
SCHEMBL1225604 0.80 GPBAR1 (0.35) NPC1MAPTRAB9A
SCHEMBL1074066 0.80 ALDH1A1 (0.34) KDM4ENPC1MAPTRAB9A
SCHEMBL19953205 0.80 POLB (0.36) POLBKDM4EPIK3CA

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 6 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-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-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 POLB 4699/4885KDM4E 788/4885PDE2A 686/4885

“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.