SCHEMBL4078102

SCHEMBL4078102

CCC(O)(CC)c1nnc(NCc2ccc3c(-c4ccccc4)cc(=O)oc3c2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.68
▸ ALDH1A1 P00352 7/20 0.47
▸ HPGD P15428 7/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAOB P27338 2/20 0.45
▸ AKR1B1 P15121 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ HSD17B3 P37058 1/20 0.45
▸ SORD Q00796 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL4082361 0.91 ALOX5 (0.62) ALOX5ALDH1A1HPGDUSP2MAOB
SCHEMBL4080470 0.91 ALOX5 (0.82) ALOX5ALDH1A1HPGDUSP2CA12
SCHEMBL4083429 0.90 ALOX5 (0.68) ALOX5ALDH1A1HPGDUSP2MAOB
SCHEMBL4088580 0.90 ALOX5 (0.68) ALOX5ALDH1A1HPGDUSP2KMT2A
SCHEMBL27720346 0.89 ALOX5 (0.60) ALOX5ALDH1A1HPGDUSP2MAOB
SCHEMBL4083470 0.89 ALOX5 (0.60) ALOX5ALDH1A1HPGDUSP2CA12
SCHEMBL27720336 0.87 ALOX5 (0.60) ALOX5ALDH1A1HPGDUSP2KMT2A
SCHEMBL4084878 0.86 ALOX5 (0.61) ALOX5ALDH1A1HPGDUSP2CA12
SCHEMBL4076109 0.86 ALOX5 (0.58) ALOX5ALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL4082802 0.84 ALOX5 (0.50) ALOX5ALDH1A1HPGDUSP2MAOB

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 12 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
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — 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 (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 12/4885ALDH1A1 431/4885HPGD 136/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885ALDH1A1 431/4885HPGD 136/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885ALDH1A1 1865/4885HPGD 895/4885

“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.

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