SCHEMBL2563983

SCHEMBL2563983

NCc1cccc(Oc2cnccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 14/20 0.55
LOX P28300 11/20 0.54
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAOA P21397 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
Hydrochloric Acid SCHEMBL3766466 0.98 LOXL2 (0.56) LOXL2LOXGAAALDH1A1MAPT
SCHEMBL6203524 0.88 TAAR1 (0.50) LOXL2LOXGAAALDH1A1MAPT
SCHEMBL27209667 0.85 GAA (0.46) LOXL2GAAALDH1A1MAPTKDM4E
SCHEMBL27209672 0.85 GAA (0.46) LOXL2LOXGAAALDH1A1MAPT
SCHEMBL2567209 0.84 KDM4E (0.57) LOXL2LOXALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL3778622 0.83 KDM4E (0.55) LOXL2LOXALDH1A1MAPTKDM4E
SCHEMBL3294752 0.81 LOXL2 (0.62) LOXL2LOX
SCHEMBL25588033 0.81 PRMT6 (0.50) GAAALDH1A1MAPTKDM4EMAOA
SCHEMBL2081785 0.80 MAOB (0.50) GAAALDH1A1MAPTKDM4E
SCHEMBL103152 0.80 LMNA (0.68) LOXL2LOXALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
WO-2011132751-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 WO disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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 (6 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-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 LOXL2 2641/4885LOX 1880/4885GAA 2556/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 LOXL2 3635/4885LOX 3542/4885GAA 234/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 LOXL2 4262/4885LOX 3619/4885GAA 955/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 LOXL2 3635/4885LOX 3542/4885GAA 234/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 LOXL2 2641/4885LOX 1880/4885GAA 2556/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 LOXL2 2623/4885LOX 1850/4885GAA 2529/4885

“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.