SCHEMBL19100007

SCHEMBL19100007

CC(C)OC(=O)c1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
ACACB O00763 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL28100325 0.81 ALDH1A1 (0.41) NOS2ALDH1A1ACACBLMNAHTT
Isopropyl Alcohol SCHEMBL7083853 0.79 ROCK2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5158384 0.78 ACACB (0.41) MEN1KMT2ANOS2ALDH1A1ACACB
Water SCHEMBL11246942 0.76 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL659350 0.74 ACACB (0.50) NOS2ACACB
SCHEMBL369224 0.73 NAMPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL31258555 0.73
SCHEMBL1641505 0.73
SCHEMBL13531256 0.72 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5933826 0.72 CA12 (0.57) CA12CA1CA2CA7CA9

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-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
US-10798941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-10-13 US disclosed
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 US disclosed
EP-3400223-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-11-14 EP disclosed
WO-2017118689-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-13 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 (3 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-10798941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 CA12 3862/4885CA1 2610/4885CA2 1851/4885
US-20190297892-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 CA12 3862/4885CA1 2610/4885CA2 1851/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 CA12 4320/4885CA1 3506/4885CA2 2903/4885

“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.