SCHEMBL10286290

SCHEMBL10286290

Cc1cc(-n2cncn2)c2c(n1)C(O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
UGT2B17 O75795 2/20 0.35
ACHE P22303 1/20 0.35
MGLL Q99685 6/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
DPP4 P27487 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL10286091 0.96 HCRTR1 (0.38) HCRTR1HCRTR2UGT2B17ACHEMGLL
SCHEMBL527090 0.79 NCF1 (0.40) UGT2B17ACHE
SCHEMBL10286301 0.79 ALDH1A1 (0.37) UGT2B17ACHE
SCHEMBL10286275 0.77 ACHE (0.40) HCRTR1HCRTR2UGT2B17ACHECYP3A4
SCHEMBL527248 0.76 UGT2B17 (0.50) UGT2B17ACHECYP1A2
SCHEMBL10286084 0.75 KDM4E (0.36)
SCHEMBL10286186 0.75 NCF1 (0.40) UGT2B17ACHE
SCHEMBL10286134 0.74 NCF1 (0.42) UGT2B17ACHE
SCHEMBL10286133 0.74 ACHE (0.36) HCRTR1HCRTR2UGT2B17ACHECYP3A4
SCHEMBL10286080 0.73 UGT2B17 (0.44) UGT2B17ACHE

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 HCRTR1 1632/4885HCRTR2 2416/4885UGT2B17 1446/4885

“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.