SCHEMBL1343560

SCHEMBL1343560

N/C(CCC(CC/C(N)=N\O)(C(=O)O)C(=O)O)=N/O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
KDM1A O60341 1/20 0.33
TPI1 P60174 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
SCHEMBL1343565 1.00 CYP2D6 (0.48) CYP2D6KDM1ATPI1
SCHEMBL13770819 0.85 CYP2D6 (0.38) CYP2D6KDM1A
SCHEMBL15063109 0.78 CYP2D6 (0.44) CYP2D6
SCHEMBL15063110 0.78 CYP2D6 (0.44) CYP2D6
SCHEMBL13844184 0.77 CYP2D6 (0.42) CYP2D6KDM1A
SCHEMBL12127860 0.77 CYP2D6 (0.42) CYP2D6KDM1A
SCHEMBL13875538 0.71 CYP2D6 (0.37) CYP2D6
SCHEMBL20263644 0.70
SCHEMBL4810549 0.69 LMNA (0.47) CYP2D6
SCHEMBL12685461 0.69 CYP2D6 (0.55) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802609-B2 Nitrile and amidoxime compounds and methods of preparation for semiconductor processing EKC TECHNOLOGY INC 2014-08-12 US disclosed
EP-2207872-B1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY INC (US) 2013-07-03 EP disclosed
US-20130035272-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY INC. 2013-02-07 US disclosed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY, INC. 2011-03-17 US disclosed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US disclosed
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 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 (2 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-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING TNNI3K, TNK1, NIT2 CYP2D6 3696/4885KDM1A 746/4885TPI1 1177/4885
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION GNMT, NIT2, NNMT CYP2D6 1003/4885KDM1A 2003/4885TPI1 336/4885

“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.