SCHEMBL12201290

SCHEMBL12201290

OB(O)c1ccccc1C[n+]1c2ccccc2c(-c2c3ccccc3[n+](Cc3ccccc3B(O)O)c3ccccc23)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
ACHE P22303 5/20 0.33
MAPT P10636 3/20 0.33
BCHE P06276 1/20 0.32
ENPP2 Q13822 1/20 0.32
PRKCA P17252 5/20 0.30
MEN1 O00255 2/20 0.30
GMNN O75496 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 2/20 0.30
POLB P06746 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
ALOX15 P16050 2/20 0.30
TSHR P16473 2/20 0.30
APEX1 P27695 2/20 0.30
THPO P40225 2/20 0.30
RECQL P46063 2/20 0.30
BLM P54132 2/20 0.30

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
SCHEMBL12201294 0.88 LIPG (0.47) LIPGACHEBCHEENPP2MEN1
SCHEMBL14601221 0.85 LIPG (0.32) LIPG
SCHEMBL12201301 0.80 ATM (0.50) LIPGACHEBCHEENPP2MEN1
SCHEMBL14601222 0.73 LIPG (0.36) LIPGENPP2
SCHEMBL39286 0.73 LIPE (0.38) LIPGACHEBCHEENPP2
SCHEMBL19422741 0.72 ACHE (0.67) ACHEBCHEMEN1LMNAKMT2A
SCHEMBL12972595 0.72 LIPG (0.46) LIPGACHEBCHEENPP2ALDH1A1
SCHEMBL17558809 0.70 BCHE (0.44) LIPGACHEMAPTBCHEENPP2
SCHEMBL29377890 0.69 LIPG (0.55) LIPGMAPTENPP2TSHR
SCHEMBL8530 0.69 LIPG (0.55) LIPGMAPTENPP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8034633-B2 Microwave accelerated assays UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2011-10-11 US disclosed
US-7939333-B2 Metal enhanced fluorescence-based sensing methods UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2011-05-10 US disclosed
US-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2010-11-25 US disclosed
US-7732215-B2 Cyanide sensing compounds and uses thereof UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-06-08 US disclosed
US-7718804-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-05-18 US disclosed
US-20100028983-A1 MICROWAVE ACCELERATED ASSAYS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-02-04 US disclosed
US-20090142847-A1 METAL ENHANCED FLUORESCENCE-BASED SENSING METHODS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2009-06-04 US disclosed
US-20080096281-A1 Cyanide Sensing Compounds and Uses Thereof GEDDES, CHRIS, DR. 2008-04-24 US disclosed
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids GEDDES, CHRIS, DR. 2007-01-25 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 (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-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 LIPG 1521/4885ACHE 1414/4885MAPT 2761/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 LIPG 1713/4885ACHE 1048/4885MAPT 2460/4885

“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.