SCHEMBL13050828

SCHEMBL13050828

[C-]#[N+]c1ccc(/C=C/c2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.54
RELA Q04206 1/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
CA1 P00915 1/20 0.45
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL998605 0.87
Hydrochloric Acid SCHEMBL9624548 0.85 ACHE (0.47) NFE2L2CA1MAPTLMNAPOLB
SCHEMBL4351525 0.85 ACHE (0.47) NFE2L2CA1CYP2A6LMNA
SCHEMBL318785 0.82 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.82 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
(E)-1,2-Di-P-Tolylethene SCHEMBL1793692 0.82 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL318786 0.82 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
(E)-1,2-Di-P-Tolylethene SCHEMBL1305580 0.82 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL12692354 0.80 ACHE (0.42) CA1NPC1RAB9AMAPTCYP1A2
SCHEMBL13410607 0.80 ACHE (0.42) CA1NPC1RAB9AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (3 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 NFE2L2 2313/4885RELA 394/4885PTGS1 3331/4885
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 NFE2L2 2333/4885RELA 451/4885PTGS1 3825/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 NFE2L2 2333/4885RELA 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.