SCHEMBL103495

SCHEMBL103495

CCCN(N=O)C(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.35
ADRA2A P08913 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL103333 0.74 ADRA2A (0.40) ALDH1A1ADRA2APDE4AADRA1A
SCHEMBL102980 0.74 CA12 (0.34) ALDH1A1HTTMEN1KMT2ACA12
SCHEMBL2960396 0.74 BCHE (0.49) L3MBTL1ALDH1A1PKMSMN1; SMN2HTT
SCHEMBL2964090 0.72 LMNA (0.41) L3MBTL1ALDH1A1PKMHTTMEN1
SCHEMBL11980194 0.72 BCHE (0.44) L3MBTL1ALDH1A1PKMSMN1; SMN2HTT
SCHEMBL103446 0.72 NAAA (0.34) ALDH1A1ADRA2ASMN1; SMN2PDE4AADRA1A
SCHEMBL103889 0.72
SCHEMBL28340847 0.72
SCHEMBL2953586 0.71 ALDH1A1 (0.44) L3MBTL1ALDH1A1PKMMEN1KMT2A
SCHEMBL3500621 0.70

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 L3MBTL1 1048/4885ALDH1A1 1190/4885ADRA2A 4219/4885

“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.