SCHEMBL2186640

SCHEMBL2186640

CC(C)(CC(=O)N1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CTSL P07711 2/20 0.44
ALDH1A1 P00352 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
PREP P48147 2/20 0.42
CTSS P25774 1/20 0.42
OPRK1 P41145 1/20 0.41
RAB9A P51151 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
SCHEMBL14590977 0.82 MEN1 (0.53) MEN1KMT2ANPC1SMN1; SMN2CTSL
SCHEMBL2187532 0.81 ITGB3 (0.50) MEN1KMT2ANPC1SMN1; SMN2NPSR1
SCHEMBL2187323 0.81 ITGB3 (0.47) FKBP1AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2186839 0.81 ITGB3 (0.47) FKBP1AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL847723 0.80 KMT2A (0.55) MEN1KMT2ANPC1TDP1SMN1; SMN2
SCHEMBL2188227 0.79 ITGB3 (0.47) FKBP1AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8249773 0.78 PREP (0.59) MEN1KMT2ADPP4KCNH2DPP7
Iodide SCHEMBL2188650 0.78 SMN1; SMN2 (0.53) NPC1SMN1; SMN2NPSR1ALDH1A1RAB9A
Iodide SCHEMBL2188411 0.78 ITGB3 (0.49) FKBP1AMEN1KMT2AKCNH2NPC1
SCHEMBL9800506 0.78 KMT2A (0.52) MEN1KMT2ANPC1TDP1SMN1; SMN2

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 FKBP1A 4504/4885MEN1 3013/4885KMT2A 4214/4885

“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.