SCHEMBL103446

SCHEMBL103446

CCCN(N=O)C(=O)OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
CHRM3 P20309 3/20 0.34
BCHE P06276 2/20 0.34
ADRA2A P08913 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
TP53 P04637 1/20 0.32
CHRM4 P08173 1/20 0.30
CHRM5 P08912 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
SCHEMBL178737 0.82 ADRA2A (0.49) ADRA2AALDH1A1SMN1; SMN2PDE4AADRA1A
SCHEMBL106465 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL102978 0.72 ALDH1A1 (0.38) ALDH1A1TP53
SCHEMBL28340847 0.72
SCHEMBL103495 0.72 L3MBTL1 (0.37) BCHEADRA2AALDH1A1SMN1; SMN2PDE4A
SCHEMBL103096 0.71 BCHE (0.35) CHRM3BCHECHRM1CHRM4CHRM5
SCHEMBL104266 0.70 LMNA (0.36)
SCHEMBL20927984 0.70 NAAA (0.43) NAAACHRM3BCHEALDH1A1EPHX1
SCHEMBL14759098 0.70 NAAA (0.47) NAAACHRM3BCHEALDH1A1EPHX1
SCHEMBL102980 0.70 CA12 (0.34) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT NAAA 666/4885CHRM3 216/4885BCHE 25/4885

“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.