SCHEMBL2187606

SCHEMBL2187606

CCCCCCCCCCCCN(C)CCC(C)(C)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.48
CETP P11597 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
FDPS P14324 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
SYK P43405 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2187282 1.00 MBOAT4 (0.48) MBOAT4CETPSMN1; SMN2MEN1KMT2A
SCHEMBL2187691 0.95 SMN1; SMN2 (0.44) MBOAT4CETPSMN1; SMN2MEN1KMT2A
SCHEMBL12852947 0.91 SMN1; SMN2 (0.46) MBOAT4SMN1; SMN2MEN1KMT2ASYK
SCHEMBL2188171 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AFDPSSYK
SCHEMBL2186179 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ASYKALDH1A1
SCHEMBL2187328 0.85 SMN1; SMN2 (0.45) MBOAT4SMN1; SMN2MEN1KMT2ASIRT2
SCHEMBL2188218 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ASYKALDH1A1
SCHEMBL17030320 0.81 MEN1 (0.53) MBOAT4SMN1; SMN2MEN1KMT2ASYK
SCHEMBL23016769 0.81 HTT (0.54) SMN1; SMN2MEN1KMT2ASIRT2SIRT1
SCHEMBL2189201 0.81 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ASIRT2SIGMAR1

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
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
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO MBOAT4 3702/4885CETP 1692/4885SMN1; SMN2 4552/4885

“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.