SCHEMBL2189192

SCHEMBL2189192

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CTRB1 P17538 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CTSS P25774 1/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
AAK1 Q2M2I8 1/20 0.44

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
SCHEMBL2187792 0.88 MEN1 (0.55) MEN1KMT2ACTRB1SMN1; SMN2NPC1
SCHEMBL9970736 0.87 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17030320 0.87 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2188218 0.86 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8700050 0.85 HTT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18573922 0.84 MEN1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8282485 0.83 MEN1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL567578 0.83 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12852772 0.83 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8699816 0.83 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248117-B2 Substituted N,N-dihaloamines as antimicrobials NOVABAY PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9248117-B2 Substituted N,N-dihaloamines as antimicrobials NOVABAY PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9248117-B2 Substituted N,N-dihaloamines as antimicrobials NOVABAY PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
EP-2629607-A2 ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS NovaBay Pharmaceuticals, Inc. (US) 2013-08-28 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds NOVABAY PHARMACEUTICALS, INC. 2012-05-24 US disclosed
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds NOVABAY PHARMACEUTICALS, INC. 2012-05-24 US disclosed
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds NOVABAY PHARMACEUTICALS, INC. 2012-05-24 US disclosed
WO-2012054521-A2 ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS NOVABAY PHARMACEUTICLAS, INC. (US) 2012-04-26 WO disclosed
WO-2012054521-A2 ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS NOVABAY PHARMACEUTICLAS, INC. (US) 2012-04-26 WO 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 (2 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-20120129793-A1 Antimicrobial Polyether and Polyol Compounds POLR1C, DPM1, PRF1 MEN1 3112/4885KMT2A 4521/4885CTRB1 3603/4885
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO MEN1 3013/4885KMT2A 4214/4885CTRB1 255/4885

“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.