SCHEMBL1076320

SCHEMBL1076320

C=Cc1nc(Cl)c(-c2c(F)ccc(OC)c2F)n1-c1cccc(OC(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 6/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
TP53 P04637 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
P2RX7 Q99572 5/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1074755 0.86 SMN1; SMN2 (0.37) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL1075615 0.85 MEN1 (0.37) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL1073628 0.81 MEN1 (0.37) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19953168 0.68 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL1074426 0.68 PDE4B (0.37) PDE4BP2RX7
SCHEMBL1903013 0.67 FPR2 (0.37) MEN1KMT2AFPR1FPR2RXRA
SCHEMBL1073760 0.67 POLB (0.36) SMN1; SMN2KDM4EHPGDHTT
SCHEMBL1075665 0.67 PTGS2 (0.34) MAPT
SCHEMBL1074015 0.67 GRM1 (0.39) PDE4BP2RX7ALDH1A1HPGD
SCHEMBL1903762 0.67 HCRTR1 (0.38) MEN1KMT2AFPR1FPR2RXRA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4335/4885MEN1 1078/4885NPC1 605/4885

“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.