SCHEMBL1074565

SCHEMBL1074565

Cc1nc(Cl)n(-c2cccc(F)c2)c1-c1c(F)ccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 2/20 0.37
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAT2A P31153 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 2/20 0.33
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1075411 0.88 NOTUM (0.37) NOTUMKDM4EGAALMNAALDH1A1
SCHEMBL1075012 0.86 KDM4E (0.34) NOTUMKDM4EGAALMNAALDH1A1
SCHEMBL1074263 0.86 NOTUM (0.38) NOTUMKDM4EGAALMNAALDH1A1
SCHEMBL1075285 0.83 POLB (0.35) PDE2APDE10AKDM4EGAAALOX15
SCHEMBL1225303 0.83 CYP1A2 (0.37) NOTUMKDM4EGAALMNAALDH1A1
SCHEMBL1904874 0.82 TDP2 (0.40) NOTUMKDM4EGAALMNAALDH1A1
SCHEMBL1074776 0.82 NOTUM (0.36) PDE2APDE10ANOTUMKDM4EGAA
SCHEMBL1082336 0.78 PDE2A (0.40) PDE2APDE10AKDM4EMAPTSMN1; SMN2
SCHEMBL19953097 0.76 POLB (0.33) KDM4EGAAALOX15MAPT
SCHEMBL1074801 0.75 CYP1A2 (0.40) ALDH1A1HPGDALOX15HSD17B10CYP1A2

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 PDE2A 686/4885PDE10A 2282/4885NOTUM 2781/4885

“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.