SCHEMBL2210382

SCHEMBL2210382

CCCCC(CCCC)C(C)(N)CCN

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
DNM1 Q05193 8/20 0.33
FDPS P14324 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
CYP3A4 P08684 1/20 0.32
SMPD1 P17405 1/20 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
SCHEMBL3240986 0.77
SCHEMBL2524016 0.74 CA2 (0.39) ALDH1A1TDP1CA1CA2DNM1
SCHEMBL5013333 0.72 FDPS (0.31) CA1CA2FDPS
SCHEMBL23468408 0.71 CA2 (0.39) ALDH1A1TDP1CA1CA2DNM1
SCHEMBL2679769 0.71 FDPS (0.40) ALDH1A1FDPSMEN1KMT2ATSHR
Bromide SCHEMBL3217136 0.71 FDPS (0.35) ALDH1A1TDP1DNM1FDPSMEN1
SCHEMBL4857614 0.70 ALDH1A1 (0.46) ALDH1A1TDP1CA1CA2DNM1
SCHEMBL11806750 0.70 CA2 (0.41) ALDH1A1TDP1CA1CA2DNM1
SCHEMBL17025705 0.70 FDPS (0.37) ALDH1A1TDP1CA1CA2DNM1
SCHEMBL11243767 0.70 FDPS (0.45) ALDH1A1TDP1CA1CA2DNM1

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 ALDH1A1 3343/4885TDP1 3247/4885CA1 1402/4885

“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.