SCHEMBL1932038

SCHEMBL1932038

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.71
CRHBP P24387 1/20 0.71
CRHR2 Q13324 1/20 0.71
MAPT P10636 5/20 0.69
KMT2A Q03164 3/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
CASP3 P42574 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP1B1 Q16678 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
MAOB P27338 2/20 0.66
P4HB P07237 1/20 0.66
HSD17B3 P37058 1/20 0.57
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL10082293 1.00 TLR9 (0.71) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL1821464 0.90 TLR9 (0.58) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL12446433 0.90 TLR9 (0.58) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL2911444 0.89 TLR9 (0.87) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL2911445 0.89 TLR9 (0.87) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL25185026 0.83 CRHBP (1.00) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL25190978 0.83 MAPT (0.79) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL5950048 0.83 MAPT (0.77) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL25200425 0.83 CRHBP (1.00) TLR9CRHBPCRHR2MAPTKMT2A
SCHEMBL5950050 0.83 MAPT (0.77) TLR9CRHBPCRHR2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150168605-A1 NANOSTRUCTURED CONTACT LENSES AND RELATED OPHTHALMIC MATERIALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-18 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-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-20120309761-A1 FAST-RESPONSE PHOTOCHROMIC NANOSTRUCTURED CONTACT LENSES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-12-06 US disclosed
EP-1644330-B1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIV MARYLAND (US) 2011-08-17 EP disclosed
US-20110136929-A1 TRAPPING GLUCOSE PROBE IN PORES OF POLYMER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-09 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-7718804-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-05-18 US disclosed
EP-1644330-A4 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIV MARYLAND BIOTECH INST (US) 2009-06-03 EP disclosed
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids GEDDES, CHRIS, DR. 2007-01-25 US 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
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

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 TLR9 3219/4885CRHBP 2442/4885CRHR2 4009/4885
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 TLR9 3117/4885CRHBP 2323/4885CRHR2 3710/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 TLR9 3117/4885CRHBP 2323/4885CRHR2 3710/4885

“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.