SCHEMBL178737

SCHEMBL178737

O=NN(CCCl)C(=O)OC1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.49
PDE4A P27815 1/20 0.49
ADRA1A P35348 1/20 0.49
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
MEN1 O00255 1/20 0.43
ABCB11 O95342 1/20 0.43
GSR P00390 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL103446 0.82 NAAA (0.34) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL3342253 0.74 ALDH1A1 (0.46) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL29393349 0.73 ALDH1A1 (0.53) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL9295642 0.72
SCHEMBL178740 0.72 ADRA2A (0.53) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL9013125 0.71 ADRA2A (0.37) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL10893189 0.70 ALDH1A1 (0.42) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL178738 0.69 ALDH1A1 (0.44) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL10879162 0.68 TDP1 (0.46) ADRA2APDE4AADRA1AALDH1A1SMN1; SMN2
SCHEMBL103096 0.67 BCHE (0.35)

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 ADRA2A 4219/4885PDE4A 435/4885ADRA1A 4252/4885

“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.