SCHEMBL3246663

SCHEMBL3246663

CN(C)CCCC(C)(C)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
BCL2 P10415 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.31
DNM1 Q05193 3/20 0.31

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
SCHEMBL22341413 0.81 ALDH1A1 (0.43) ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL31276299 0.75 DNM1 (0.33) ALDH1A1TSHRDNM1
SCHEMBL17030340 0.75 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1
SCHEMBL1853215 0.73 ALDH1A1 (0.38) ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL18918047 0.73 ALDH1A1 (0.36) ALDH1A1LMNAL3MBTL1
SCHEMBL27848826 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL14737887 0.73 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1
SCHEMBL1857359 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL6185698 0.73 ALDH1A1 (0.48) ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL3242414 0.72 ALDH1A1 (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO ALDH1A1 3343/4885TSHR 1073/4885LMNA 3454/4885

“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.