SCHEMBL4196346

SCHEMBL4196346

[CH2]C1CC1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
SIGMAR1 Q99720 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 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
SCHEMBL4196349 0.74 CYP1A2 (0.37) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6532715 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL1524658 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL6533680 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL11006113 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL23070439 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL1930290 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL187659 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL3224864 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C
SCHEMBL3222970 0.73 CHRM5 (0.43) NOS1NOS2CHRM5CYP1A2ADRA2C

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
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
CN-101189214-A Substituted 4, 5-dihydro-1, 2, 4-triazin-6-ones, 1, 2, 4-triazin-6-ones and their use as fungicides DOW AGROSCIENCES LLC (US) 2008-05-28 CN disclosed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 EP disclosed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 WO disclosed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 US 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-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DDT, CYP4B1, CYP4X1 NOS1 2532/4885NOS2 2478/4885CHRM5 1078/4885

“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.