SCHEMBL2187955

SCHEMBL2187955

CC(C)(CCN1CCC(F)(F)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TGM2 P21980 1/20 0.42
CTSS P25774 1/20 0.41
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM1A O60341 1/20 0.39
CCR1 P32246 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CTSK P43235 1/20 0.38

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
SCHEMBL2188754 0.90 MEN1 (0.43) MEN1KMT2ACTSSMCHR1SMN1; SMN2
SCHEMBL2188227 0.87 ITGB3 (0.47) MEN1KMT2AMCHR1SMN1; SMN2ITGB3
SCHEMBL2186839 0.86 ITGB3 (0.47) MEN1KMT2AMCHR1SMN1; SMN2ITGB3
SCHEMBL2187323 0.86 ITGB3 (0.47) MEN1KMT2AMCHR1SMN1; SMN2ITGB3
SCHEMBL12852918 0.79 MEN1 (0.44) MEN1KMT2ACTSSSMN1; SMN2LMNA
Iodide SCHEMBL2188411 0.79 ITGB3 (0.49) MEN1KMT2AKCNH2MCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL2185842 0.78 MEN1 (0.43) MEN1KMT2ACTSSSMN1; SMN2LMNA
SCHEMBL18573922 0.76 MEN1 (0.58) MEN1KMT2ACTSSSMN1; SMN2LMNA
SCHEMBL9970736 0.75 MEN1 (0.53) MEN1KMT2ACTSSSMN1; SMN2LMNA
SCHEMBL17030320 0.75 MEN1 (0.53) MEN1KMT2ACTSSSMN1; SMN2LMNA

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 11 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
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-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US 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
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US 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
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 MEN1 3013/4885KMT2A 4214/4885DPP4 3451/4885

“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.