SCHEMBL1075460

SCHEMBL1075460

Cc1nc(Cl)c(-c2ccc(F)cc2Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
HSD11B1 P28845 2/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
GSR P00390 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1075120 0.89 PIK3CA (0.42) PIK3CAHSD11B1CNR1CNR2GSR
SCHEMBL1075250 0.86 KMT2A (0.38) PIK3CAHSD11B1CNR1CNR2GSR
SCHEMBL1074240 0.80 PIK3CA (0.51) PIK3CAPOLBGRM5KCNH2
SCHEMBL1074623 0.78 PIK3CA (0.41) PIK3CAGSRPOLBKCNH2
SCHEMBL1073301 0.73 POLB (0.41) PIK3CAPOLBGRM5
SCHEMBL1075463 0.73 POLB (0.41) PIK3CAPOLBGRM5
SCHEMBL1073735 0.71 SMN1; SMN2 (0.41) PIK3CAPOLBIDO1TDO2
SCHEMBL1110865 0.71 POLB (0.36) PIK3CAPOLBGRM5KCNH2
SCHEMBL1076165 0.70 POLB (0.36) PIK3CAPOLBGRM5KCNH2
SCHEMBL1073294 0.69 PIK3CA (0.41) PIK3CAGSRPOLBGRM5KCNH2

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 8 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-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO 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-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 PIK3CA 528/4885HSD11B1 1193/4885CNR1 380/4885

“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.