SCHEMBL1075676

SCHEMBL1075676

COc1cncc(-n2c(Cl)nc(C)c2-c2c(F)cc(OC)cc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.40
CYP11B2 P19099 5/20 0.40
PDE2A O00408 3/20 0.39
PDE10A Q9Y233 3/20 0.39
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
GRM8 O00222 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRM7 Q14831 1/20 0.35
P2RX7 Q99572 1/20 0.34
PTGS2 P35354 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL1224510 0.92 KCNJ5 (0.38) CYP11B1CYP11B2PDE2APDE10AKCNJ5
SCHEMBL1076043 0.92 CYP11B2 (0.36) CYP11B1CYP11B2PDE2APDE10AKCNJ5
SCHEMBL1075296 0.90 KCNJ5 (0.34) CYP11B1CYP11B2PDE2APDE10AKCNJ5
SCHEMBL1074420 0.89 CYP1A2 (0.38) PDE2APDE10AKCNJ5KCNJ3GRM8
SCHEMBL1075011 0.85 GLA (0.40) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL1076597 0.85 ALDH1A1 (0.36) GRM8CYP1A2GRM7PTGS2
SCHEMBL1073034 0.84 CYP1A2 (0.34) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL1076149 0.84 CYP1A2 (0.36) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL1071794 0.83 GRM8 (0.34) PDE2APDE10AGRM8CYP1A2GRM7
SCHEMBL1074585 0.83 PDE4B (0.37) CYP11B2GRM8CYP1A2GRM7P2RX7

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 CYP11B1 129/4885CYP11B2 143/4885PDE2A 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.