SCHEMBL10286309

SCHEMBL10286309

Cc1cc(N)c2c(n1)C(O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
UGT2B17 O75795 2/20 0.42
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HRH2 P25021 3/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NR3C1 P04150 1/20 0.33
KCNH2 Q12809 1/20 0.33
UHRF1 Q96T88 1/20 0.33
CHRM4 P08173 1/20 0.32

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
SCHEMBL10286085 0.95 ACHE (0.43) ACHEUGT2B17NOS3NOS1NOS2
SCHEMBL527248 0.85 UGT2B17 (0.50) ACHEUGT2B17NOS3NOS1NOS2
SCHEMBL10286326 0.82 ACHE (0.49) ACHEUGT2B17HRH3HRH2ALDH1A1
SCHEMBL10286080 0.82 UGT2B17 (0.44) ACHEUGT2B17HRH3HTTALDH1A1
SCHEMBL10286371 0.81 UGT2B17 (0.42) ACHEUGT2B17HRH3HRH2HTT
SCHEMBL10286284 0.81 UGT2B17 (0.42) ACHEUGT2B17HRH3HTTALDH1A1
SCHEMBL526851 0.81 ACHE (0.44) ACHEUGT2B17HRH3HRH2HTT
SCHEMBL10286287 0.81 UGT2B17 (0.42) ACHEUGT2B17HRH3HRH2HTT
SCHEMBL10286333 0.80 UGT2B17 (0.45) ACHEUGT2B17NOS3NOS1NOS2
SCHEMBL10286293 0.79 UGT2B17 (0.45) ACHEUGT2B17HTTALDH1A1KDM4E

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
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO ACHE 660/4885UGT2B17 1446/4885NOS3 239/4885

“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.