SCHEMBL103395

SCHEMBL103395

CN(N=O)C(=O)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
BCHE P06276 2/20 0.33
RECQL P46063 1/20 0.32
CCR5 P51681 1/20 0.31
GLI1 P08151 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL103334 0.93 CES2 (0.42) CES2CES1BCHERECQLLMNA
SCHEMBL102996 0.91
SCHEMBL10968684 0.91 ALDH1A1 (0.32) HTT
SCHEMBL4639228 0.75
Hydrochloric Acid SCHEMBL28625862 0.73 BCHE (0.42) RIPK1CES2CES1BCHERECQL
SCHEMBL2736560 0.70 CES2 (0.46) RIPK1CES2CES1BCHERECQL
SCHEMBL839779 0.70
SCHEMBL16938641 0.69 CES2 (0.50) CES2CES1BCHERECQLGLI1
SCHEMBL761357 0.69 CES2 (0.50) CES2CES1BCHERECQLGLI1
Hydrochloric Acid SCHEMBL7367917 0.69 CES2 (0.43) RIPK1CES2CES1BCHERECQL

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-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-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
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 US disclosed
WO-2010132509-A2 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2010-11-18 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 (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 RIPK1 3791/4885CES2 2681/4885CES1 2896/4885

“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.