SCHEMBL1074241

SCHEMBL1074241

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HPGD P15428 3/20 0.36
EGFR P00533 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MALT1 Q9UDY8 1/20 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
LMNA P02545 1/20 0.34
CYP1A2 P05177 3/20 0.33
USP2 O75604 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
SCHEMBL1074053 0.91 GRM1 (0.40) SMN1; SMN2TSHRHTTIDO1TDO2
SCHEMBL1073735 0.91 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTTIDO1TDO2
SCHEMBL1110867 0.90 PIK3CA (0.40) SMN1; SMN2TSHRHTTIDO1TDO2
SCHEMBL1076571 0.89 SMN1; SMN2 (0.38) SMN1; SMN2TSHRHTTIDO1TDO2
SCHEMBL1225381 0.89 PIK3CA (0.42) SMN1; SMN2TSHRHTTHPGDPTGS1
SCHEMBL1073566 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TSHRHTTHPGDMALT1
SCHEMBL1075378 0.86 PIK3CA (0.34) SMN1; SMN2TSHRHTTIDO1TDO2
SCHEMBL1081059 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTTHPGDMALT1
SCHEMBL2451262 0.84 PIK3CA (0.35) SMN1; SMN2TSHRHTTIDO1TDO2
SCHEMBL2448152 0.84 PIK3CA (0.35) SMN1; SMN2TSHRHTTIDO1TDO2

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 9 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
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed
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 SMN1; SMN2 4003/4885TSHR 3818/4885HTT 4399/4885

“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.