SCHEMBL1076571

SCHEMBL1076571

COc1cc(F)c(-c2c(Cl)nc(C)n2-c2ccc(C)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TSHR P16473 2/20 0.35
CUL4A Q13619 1/20 0.35
PIK3CA P42336 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL1110867 0.94 PIK3CA (0.40) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL1073735 0.92 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHPGDHTTTSHR
SCHEMBL1225381 0.92 PIK3CA (0.42) SMN1; SMN2LMNAHPGDHTTALDH1A1
SCHEMBL1075378 0.90 PIK3CA (0.34) SMN1; SMN2LMNAHPGDHTTALDH1A1
SCHEMBL1074241 0.89 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHPGDHTTALDH1A1
SCHEMBL19967260 0.88 HTT (0.41) SMN1; SMN2LMNAHPGDHTTALDH1A1
SCHEMBL1074053 0.88 GRM1 (0.40) SMN1; SMN2HTTTSHRPTGS1PTGS2
SCHEMBL1110806 0.87 MPO (0.34) SMN1; SMN2LMNAHPGDHTTMAPK1
SCHEMBL2451262 0.85 PIK3CA (0.35) SMN1; SMN2LMNAHPGDHTTRAB9A
SCHEMBL2448152 0.85 PIK3CA (0.35) SMN1; SMN2LMNAHPGDHTTTSHR

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 13 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-2279176-A1 NOVEL IMIDAZOLE DERIVATIVES HAVING MICROBIOCIDAL ACTIVITY Syngenta Participations AG (CH) 2011-02-02 EP 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-2009127615-A1 NOVEL IMIDAZOLE DERIVATIVES HAVING MICROBIOCIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 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-2279176-A1 NOVEL IMIDAZOLE DERIVATIVES HAVING MICROBIOCIDAL ACTIVITY Syngenta Participations AG (CH) 2011-02-02 EP 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
WO-2009127615-A1 NOVEL IMIDAZOLE DERIVATIVES HAVING MICROBIOCIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 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 4003/4885MEN1 1078/4885KMT2A 2090/4885

“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.