SCHEMBL75060

SCHEMBL75060

CN(C)c1ccc(/C=C/c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.62
RELA Q04206 1/20 0.59
PTGS1 P23219 1/20 0.56
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CASP1 P29466 2/20 0.55
HBB P68871 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B3 P37058 1/20 0.53
TTR P02766 1/20 0.53
GAA P10253 1/20 0.52
BRCA1 P38398 1/20 0.52
CASP7 P55210 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ALPG P10696 1/20 0.52

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
SCHEMBL75061 1.00 APP (0.62) APPRELAPTGS1MAPTMEN1
SCHEMBL4448156 0.92 APP (0.68) APPRELAPTGS1MAPTMEN1
SCHEMBL4448158 0.92 APP (0.68) APPRELAPTGS1MAPTMEN1
SCHEMBL4454503 0.91 APP (0.71) APPRELAPTGS1MAPTMEN1
SCHEMBL4454499 0.91 APP (0.71) APPRELAPTGS1MAPTMEN1
SCHEMBL9369 0.87 ALDH1A1 (0.58) MAPTHBBALOX15ALDH1A1
Hydrochloric Acid SCHEMBL18641492 0.85 TSHR (0.55) MAPTHBBALOX15ALDH1A1
SCHEMBL22594932 0.84 PTGS1 (0.57) APPRELAPTGS1MAPTMEN1
SCHEMBL1714446 0.82 RELA (0.81) APPRELAPTGS1MAPTMEN1
SCHEMBL7915381 0.82 RELA (0.81) APPRELAPTGS1MAPTMEN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150176-B1 IMPLANTABLE CONCENTRATION SENSOR AND DEVICE ST JUDE MEDICAL (SE) 2016-04-27 EP disclosed
US-8569502-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids Geddes, Chris (US) 2013-10-29 US disclosed
US-8569502-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids Geddes, Chris (US) 2013-10-29 US disclosed
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2013-08-15 US disclosed
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2013-08-15 US disclosed
US-8338602-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-12-25 US disclosed
US-8338602-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-12-25 US disclosed
US-8131333-B2 Ophthalmic sensor EYESENSE AG (CH) 2012-03-06 US disclosed
EP-1671118-B1 CYANIDE SENSING COMPOUNDS AND USES THEREOF UNIV MARYLAND (US) 2011-11-02 EP disclosed
EP-1644330-B1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIV MARYLAND (US) 2011-08-17 EP disclosed
US-20070030443-A1 Opthalmic sensor EYESENSE AG (CH) 2007-02-08 US disclosed
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids GEDDES, CHRIS, DR. 2007-01-25 US disclosed
EP-1671118-A2 CYANIDE SENSING COMPOUNDS AND USES THEREOF University of Maryland Biotechnology Institute (US) 2006-06-21 EP disclosed
EP-1654543-A1 OPHTHALMIC SENSOR Novartis AG (CH) 2006-05-10 EP disclosed
EP-1644330-A2 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2006-04-12 EP disclosed
US-20050158245-A1 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R (US) 2005-07-21 US disclosed
WO-2005029033-A2 CYANIDE SENSING COMPOUNDS AND USES THEREOF UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2005-03-31 WO disclosed
WO-2005015237-A1 OPHTHALMIC SENSOR NOVARTIS AG (CH) 2005-02-17 WO disclosed
WO-2005000109-A2 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2005-01-06 WO disclosed
US-20040087842-A1 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R (US) 2004-05-06 US 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 (4 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-20050158245-A1 Fluorescent probes for saccharrides H1-3, H1-0, H1-2 APP 4847/4885RELA 539/4885PTGS1 3967/4885
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 APP 3845/4885RELA 451/4885PTGS1 3825/4885
US-20040087842-A1 Fluorescent probes for saccharrides ST6GAL1, SLC5A1, CA6 APP 4844/4885RELA 985/4885PTGS1 2949/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 APP 3845/4885RELA 451/4885PTGS1 3825/4885

“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.