SCHEMBL1076149

SCHEMBL1076149

COc1cc(F)c(-c2c(C)nc(Cl)n2-c2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
EGFR P00533 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
PDE2A O00408 3/20 0.34
PDE10A Q9Y233 3/20 0.34
HPGD P15428 2/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL1074585 0.91 PDE4B (0.37) CYP1A2GRM8GRM7EGFR
SCHEMBL1075011 0.91 GLA (0.40) CYP1A2GRM8GRM7EGFRPDE2A
SCHEMBL1074420 0.90 CYP1A2 (0.38) CYP1A2GRM8GRM7EGFRPDE2A
SCHEMBL1076597 0.89 ALDH1A1 (0.36) CYP1A2GRM8GRM7EGFRHPGD
SCHEMBL1074801 0.88 CYP1A2 (0.40) CYP1A2MALT1HPGDALDH1A1ALOX15
SCHEMBL1073034 0.85 CYP1A2 (0.34) CYP1A2GRM8GRM7PDE2APDE10A
SCHEMBL1225303 0.85 CYP1A2 (0.37) CYP1A2GRM8GRM7MALT1HPGD
SCHEMBL1071794 0.84 GRM8 (0.34) CYP1A2GRM8GRM7PDE2APDE10A
SCHEMBL1075676 0.84 CYP11B1 (0.40) CYP1A2GRM8GRM7PDE2APDE10A
SCHEMBL1073182 0.83 OXTR (0.41)

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 CYP1A2 9/4885GRM8 3747/4885GRM7 3763/4885

“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.