SCHEMBL2059142

SCHEMBL2059142

Clc1ncncc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
MAPK14 Q16539 3/20 0.44
LTA4H P09960 1/20 0.44
PLAU P00749 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 3/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD2 P14416 2/20 0.42
LRRK2 Q5S007 1/20 0.41
PIN1 Q13526 1/20 0.41
LIPE Q05469 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19693675 0.81 LRRK2 (0.45) L3MBTL1IDO1LRRK2SGMS2
SCHEMBL29519528 0.81 LRRK2 (0.45) L3MBTL1IDO1LRRK2SGMS2
SCHEMBL30337545 0.76 PIN1 (0.51) MAPTMAPK1TDP1L3MBTL1IDO1
SCHEMBL17270074 0.76 PIN1 (0.51) MAPTMAPK1TDP1L3MBTL1IDO1
SCHEMBL31500545 0.76 P4HTM (0.48) AOC3IDO1SGMS2
SCHEMBL2339072 0.75 LTA4H (0.64) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL11787237 0.75 GAA (0.41) MAPTLTA4HPLAUPIN1ALDH1A1
SCHEMBL30839874 0.75 L3MBTL1 (0.51) AOC3MAPTMAPK1TDP1L3MBTL1
SCHEMBL6639288 0.75 L3MBTL1 (0.51) AOC3MAPTMAPK1TDP1L3MBTL1
SCHEMBL1233184 0.74 TSHR (0.45) MAPTMAPK1TDP1L3MBTL1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973044-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
US-7968547-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-7741328-B2 Treating inflammatory diseases such as rheumatoid arthritis, multiple sclerosis or Crohn's disease; Very Late Antigen-4 (VLA-4), also called alpha 4 beta 1 integrin; N-(sulfonamido-substituted pyrimidyl, pyridyl or pyrazyl)-L-4-(N,N-dimethylcarbamyloxy)phenylalanine compounds ELAN PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1144388-B1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARM INC (US) 2010-01-13 EP disclosed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
US-7378529-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH (US) 2008-05-27 US disclosed
CN-1328261-C Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-07-25 CN disclosed
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 KONRADI ANDREI W (US) 2003-07-24 US disclosed
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-03 US disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 US disclosed
CN-1351592-A Acyl derivatives for the treatment of VLA-4 related diseases ELAN PHARM INC (US) 2002-05-29 CN disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
CN-1316426-A Uracil compound and application thereof SUMITOMO CHEMICAL CO (JP) 2001-10-10 CN disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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 (5 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-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 VCAM1, ICAM1, ITGB4 AOC3 2652/4885MAPT 1787/4885MAPK1 2890/4885
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 AOC3 2174/4885MAPT 1811/4885MAPK1 2471/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 AOC3 2174/4885MAPT 1811/4885MAPK1 2471/4885
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 AOC3 2174/4885MAPT 1811/4885MAPK1 2471/4885
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 AOC3 2174/4885MAPT 1811/4885MAPK1 2471/4885

“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.