SCHEMBL2109641

SCHEMBL2109641

CC(C#Cc1ccc(Cc2ccc(Cl)cc2)s1)N(O)C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.80
EPHX2 P34913 5/20 0.80
HRH1 P35367 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2109638 1.00 ALOX5 (0.80) ALOX5EPHX2HRH1ACACBACACA
Atreleuton SCHEMBL2107799 0.89 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL504818 0.89 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2108309 0.89 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL8303838 0.88 ALOX5 (0.79) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8303836 0.88 ALOX5 (0.79) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8304304 0.87 ALOX5 (0.77) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8309174 0.86 ALOX5 (0.76) ALOX5EPHX2ACACBACACA
SCHEMBL8309173 0.86 ALOX5 (0.76) ALOX5EPHX2ACACBACACA
SCHEMBL8307175 0.85 ALOX5 (0.65) ALOX5EPHX2HRH1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP claimed
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-7851486-B2 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2010-12-14 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 US disclosed
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2005-12-22 US disclosed
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 DECODE GENETICS EHF. (IS) 2005-05-26 US disclosed
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP disclosed
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5506261-A Substituted aryl- and heteroarylalkenyl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1996-04-09 US disclosed
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO disclosed
US-5288751-A [(Substituted) phenyalkyl]furylalkynyl-and [substituted) phenyalkyl] thienylalkynyl-N-hydroxyurea inhibitors or leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-02-22 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 (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-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885EPHX2 116/4885HRH1 1549/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885EPHX2 116/4885HRH1 1549/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 14/4885EPHX2 168/4885HRH1 3582/4885
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 ALOX5, ALOX15, ALOX12 ALOX5 1/4885EPHX2 136/4885HRH1 1466/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 13/4885EPHX2 139/4885HRH1 3646/4885
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 49/4885EPHX2 257/4885HRH1 3590/4885

“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.