SCHEMBL10286366

SCHEMBL10286366

Nc1c2c(nc3cc(F)ccc13)C(O)CCC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.67
BCHE P06276 6/20 0.46
GRIN1 Q05586 5/20 0.46
GRIN2A Q12879 5/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NR3C1 P04150 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM1 P11229 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL9547692 0.81 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACYP1A2
SCHEMBL9875466 0.79 ACHE (0.67) ACHEBCHECYP1A2CYP2C9TSHR
SCHEMBL10286361 0.77 ACHE (0.69) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL10286854 0.76 ACHE (0.50) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL10522714 0.75 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACYP1A2
SCHEMBL10287364 0.73 ACHE (0.47) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL10286861 0.71 ACHE (0.50) ACHEBCHECHRM1EPHX2
SCHEMBL10287399 0.70 ACHE (0.49) ACHEBCHEGRIN1GRIN2A
SCHEMBL10287338 0.70 ACHE (0.39) ACHETSHRALDH1A1
SCHEMBL10286449 0.70 ACHE (0.70) ACHECYP1A2CYP2C9TSHRALDH1A1

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 660/4885BCHE 2014/4885GRIN1 3414/4885

“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.