SCHEMBL75728

SCHEMBL75728

N#Cc1ccc(/C=C/c2ccc(B(O)O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.76
TTR P02766 2/20 0.53
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
P4HB P07237 3/20 0.47
FBP1 P09467 1/20 0.46

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
SCHEMBL75729 1.00 ENPP2 (0.76) ENPP2TTRTUBB4ATUBBTUBA3C
SCHEMBL6016 0.87 ENPP2 (1.00) ENPP2P4HBALDH1A1CA12CA2
SCHEMBL1260529 0.82 FBP1 (0.59) ENPP2KDM4EP4HBFBP1HDAC2
SCHEMBL8699093 0.82 FBP1 (0.59) ENPP2KDM4EP4HBFBP1HDAC2
SCHEMBL2400920 0.82 TTR (0.71) ENPP2TTRTUBB4ATUBBTUBA3C
SCHEMBL2400914 0.82 TTR (0.71) ENPP2TTRTUBB4ATUBBTUBA3C
SCHEMBL1687898 0.82 FBP1 (0.59) ENPP2KDM4EP4HBFBP1HDAC2
SCHEMBL13799049 0.82 FBP1 (0.59) ENPP2KDM4EP4HBFBP1HDAC2
SCHEMBL21574805 0.82 FBP1 (0.59) ENPP2KDM4EP4HBFBP1HDAC2
SCHEMBL1687911 0.82 FBP1 (0.59) ENPP2KDM4EP4HBFBP1HDAC2

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-1671118-B1 CYANIDE SENSING COMPOUNDS AND USES THEREOF UNIV MARYLAND (US) 2011-11-02 EP disclosed
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids GEDDES, CHRIS, DR. 2007-01-25 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 ENPP2 1838/4885TTR 1997/4885TUBB4A 1016/4885
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 ENPP2 2619/4885TTR 287/4885TUBB4A 3401/4885
US-20040087842-A1 Fluorescent probes for saccharrides ST6GAL1, SLC5A1, CA6 ENPP2 1962/4885TTR 1711/4885TUBB4A 2062/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 ENPP2 2619/4885TTR 287/4885TUBB4A 3401/4885

“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.