SCHEMBL2108326

SCHEMBL2108326

C[C@H](C#Cc1ncc(Cc2ccc(F)cc2)s1)N(O)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.69
EPHX2 P34913 6/20 0.69
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL2108330 1.00 ALOX5 (0.69) ALOX5EPHX2KDM4EMEN1NPC1
Atreleuton SCHEMBL2107799 0.81 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2108309 0.81 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL504818 0.81 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL8306037 0.78 ALOX5 (0.67) ALOX5EPHX2
SCHEMBL8308020 0.78 ALOX5 (0.67) ALOX5EPHX2
SCHEMBL8308023 0.78 ALOX5 (0.67) ALOX5EPHX2
SCHEMBL8306041 0.78 ALOX5 (0.67) ALOX5EPHX2
SCHEMBL9233636 0.75 ALOX5 (0.50) ALOX5EPHX2KDM4EMEN1NPC1
SCHEMBL9233641 0.75 ALOX5 (0.50) ALOX5EPHX2KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 US 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
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
WO-1995030671-A1 SUBSTITUTED ARYL- AND HETEROARYLALKENYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-11-16 WO disclosed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP disclosed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 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 116/4885KDM4E 3928/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 ALOX5 3/4885EPHX2 116/4885KDM4E 3928/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 14/4885EPHX2 168/4885KDM4E 4305/4885
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 136/4885KDM4E 3611/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 13/4885EPHX2 139/4885KDM4E 4345/4885
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment PLAAT3, PLAAT2, PLA2G7 ALOX5 49/4885EPHX2 257/4885KDM4E 4484/4885

“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.