SCHEMBL5753365

SCHEMBL5753365

O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cn(Cc2c(F)cccc2F)c2c(O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE7A Q13946 7/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 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
SCHEMBL5759222 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5468791 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5759099 0.87 TUBB4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5756921 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5756186 0.86 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5753323 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5557057 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5468831 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL5755902 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5756693 0.82 CNR1 (0.46) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615912-A1 4-, 6- O 7-HYDROXYINDOLES HAVING N-OXIDE GROUPS AND THE USE THEREOF AS THERAPEUTIC AGENTS Elbion AG (DE) 2006-01-18 EP claimed
US-20040242643-A1 4-,6- or 7-hydroxyindoles with N-oxide groups and the use thereof as therapeutic agents ELBION AG (DE) 2004-12-02 US claimed
WO-2004094405-A1 4-, 6- O 7-HYDROXYINDOLES HAVING N-OXIDE GROUPS AND THE USE THEREOF AS THERAPEUTIC AGENTS ELBION AG (DE) 2004-11-04 WO claimed

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-20040242643-A1 4-,6- or 7-hydroxyindoles with N-oxide groups and the use thereof as therapeutic agents PDE4A, HNMT, PDE4B PDE4A 1/4885PDE4B 3/4885PDE4C 7/4885

“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.