SCHEMBL2186839

SCHEMBL2186839

CC(C)(CCN1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
OPRK1 P41145 3/20 0.46
EGFR P00533 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPY1R P25929 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FKBP1A P62942 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL2187323 1.00 ITGB3 (0.47) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL2188227 0.99 ITGB3 (0.47) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL2188411 0.92 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL2188754 0.87 MEN1 (0.43) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL2187955 0.86 MEN1 (0.45) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL2187532 0.85 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL2188650 0.82 SMN1; SMN2 (0.53) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL2186640 0.81 FKBP1A (0.47) NPC1RAB9ASMN1; SMN2OPRK1ALDH1A1
SCHEMBL22729349 0.80 CYP3A4 (0.49) ITGB3ITGA2BRAB9ASMN1; SMN2OPRK1
SCHEMBL17030320 0.79 MEN1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 ITGB3 3621/4885ITGA2B 4264/4885NPC1 146/4885

“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.