SCHEMBL4075816

SCHEMBL4075816

CCC(O)(CC)c1nnc(NCc2cc3oc(=O)cc(-c4ccc(F)cc4)c3cc2F)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.63
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL4079807 0.91 ALOX5 (0.77) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4075891 0.91 ALOX5 (0.77) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4075890 0.91 ALOX5 (0.77) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4080470 0.86 ALOX5 (0.82) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1998244 0.83 ALOX5 (0.76) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4082802 0.82 ALOX5 (0.50) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4137861 0.82 ALOX5 (0.70) ALOX5MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL11898156 0.82 ALOX5 (0.70) ALOX5MAPTKMT2AMEN1POLB
SCHEMBL11898155 0.82 ALOX5 (0.70) ALOX5MAPTKMT2AMEN1POLB
SCHEMBL4078791 0.82 ALOX5 (0.75) ALOX5MAPTKMT2ASMN1; SMN2MEN1

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-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 — — EP claimed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 — — US claimed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 — — US claimed
EP-1869031-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR Merck Frosst Canada Ltd. (CA) 2007-12-26 — — EP claimed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — US claimed
WO-2006099735-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK FROSST CANADA LTD. (CA) 2006-09-28 — — WO claimed
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 — — EP disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 — — US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 — — US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 — — US disclosed
CN-101146802-A Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FROSST CANADA LTD (CA) 2008-03-19 — — CN disclosed
EP-1869031-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR Merck Frosst Canada Ltd. (CA) 2007-12-26 — — EP disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — US disclosed
WO-2006099735-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK FROSST CANADA LTD. (CA) 2006-09-28 — — 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 (3 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-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885MAPT 4686/4885KMT2A 4165/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885MAPT 4686/4885KMT2A 4165/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885MAPT 4659/4885KMT2A 3396/4885

“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.

Send feedback