SCHEMBL1839968

SCHEMBL1839968

CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)Cc2ccccc2B(O)O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
LIPG Q9Y5X9 1/20 0.42
HIF1A Q16665 3/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.37
LMNA P02545 3/20 0.37
NR1I2 O75469 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL24274700 0.94 CYP2D6 (0.44) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL21143034 0.92 CYP2D6 (0.42) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL21579184 0.91 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL13990680 0.90 CYP2D6 (0.41) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4460221 0.89 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL13600367 0.85 CYP1A2 (0.37) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL15031011 0.84 CYP1A2 (0.36) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL20312980 0.84 CYP1A2 (0.36) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL976289 0.84 ALDH1A1 (0.39) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL20362787 0.83 CYP2D6 (0.74) CYP2D6CYP1A2CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025694-A1 Silicone Hydrogel Based Fluorescent Assay and Contact Lens NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-26 US disclosed
US-11369295-B2 Silicone hydrogel based fluorescent assay and contact lens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-06-28 US disclosed
US-11034952-B2 Aptamer methods and compositions THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-15 US disclosed
WO-2020240258-A1 COMPACT DEVICE FOR NON-INVASIVE MEASUREMENT OF MARKERS IN PHYSIOLOGICAL FLUIDS TOMASOV VIKTOR (EE) 2020-12-03 WO disclosed
US-20200229740-A1 Silicone Hydrogel Based Fluorescent Assay and Contact Lens NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-23 US disclosed
US-20190185845-A1 APTAMER METHODS AND COMPOSITIONS NATIONAL SCIENCE FOUNDATION 2019-06-20 US disclosed
US-20160076021-A1 APTAMER METHODS AND COMPOSITIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-03-17 US disclosed
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
EP-1671118-B1 CYANIDE SENSING COMPOUNDS AND USES THEREOF UNIV MARYLAND (US) 2011-11-02 EP disclosed
US-7524985-B2 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 US disclosed
US-20080319288-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
US-7388110-B2 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2008-06-17 US disclosed
US-20080096281-A1 Cyanide Sensing Compounds and Uses Thereof GEDDES, CHRIS, DR. 2008-04-24 US disclosed
US-20080021236-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor TERUMO KABUSHIKI KAISHA (JP) 2008-01-24 US disclosed
EP-1671118-A2 CYANIDE SENSING COMPOUNDS AND USES THEREOF University of Maryland Biotechnology Institute (US) 2006-06-21 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
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 (10 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 CYP2D6 2616/4885CYP1A2 4384/4885CYP2C19 4664/4885
US-20230025694-A1 Silicone Hydrogel Based Fluorescent Assay and Contact Lens CD44, CRYAA, IGFBP1 CYP2D6 4081/4885CYP1A2 4634/4885CYP2C19 3942/4885
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 CYP2D6 721/4885CYP1A2 1046/4885CYP2C19 1347/4885
US-20040087842-A1 Fluorescent probes for saccharrides ST6GAL1, SLC5A1, CA6 CYP2D6 1936/4885CYP1A2 4250/4885CYP2C19 4725/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 CYP2D6 721/4885CYP1A2 1046/4885CYP2C19 1347/4885
US-11369295-B2 Silicone hydrogel based fluorescent assay and contact lens CD44, CRYAA, IGFBP1 CYP2D6 4081/4885CYP1A2 4634/4885CYP2C19 3942/4885
US-20080319288-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 CYP2D6 466/4885CYP1A2 1737/4885CYP2C19 653/4885
US-20200229740-A1 Silicone Hydrogel Based Fluorescent Assay and Contact Lens CD44, CRYAA, IGFBP1 CYP2D6 4081/4885CYP1A2 4634/4885CYP2C19 3942/4885
US-20080021236-A1 Saccharide-measuring fluorescent monomer, saccharide-measuring fluorescent sensor substance, and implantable, saccharide-measuring sensor ACMSD, QPCT, B3GNT2 CYP2D6 476/4885CYP1A2 1882/4885CYP2C19 663/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 CYP2D6 721/4885CYP1A2 1046/4885CYP2C19 1347/4885

“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.