SCHEMBL4080162

SCHEMBL4080162

O=c1cc(-c2ccc(F)cc2)c2ccc(CNc3nnc(C4CCC4)o3)cc2o1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.60
▸ ADCY1 Q08828 3/20 0.41
▸ KCNH2 Q12809 3/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ TUBB P07437 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL4076155 0.98 ALOX5 (0.60) ALOX5ADCY1KCNH2GRM2TUBB
SCHEMBL4084111 0.81 ALOX5 (0.72) ALOX5KCNH2GRM2TUBBQPCT
SCHEMBL4083455 0.80 ALOX5 (0.63) ALOX5KCNH2GRM2TUBBQPCT
SCHEMBL4076139 0.79 ALOX5 (0.66) ALOX5KCNH2GRM2FFAR1QPCT
SCHEMBL27699690 0.78 ALOX5 (0.46) ALOX5KCNH2GRM2TUBB
SCHEMBL4076137 0.78 ALOX5 (0.81) ALOX5KCNH2GRM2FFAR1QPCT
SCHEMBL13799549 0.78 ALOX5 (0.81) ALOX5KCNH2GRM2ALDH1A1HPGD
SCHEMBL4075827 0.78 ALOX5 (0.81) ALOX5KCNH2GRM2QPCTALDH1A1
SCHEMBL4080470 0.77 ALOX5 (0.82) ALOX5KCNH2GRM2ALDH1A1HPGD
SCHEMBL4076133 0.76 ALOX5 (0.81) ALOX5KCNH2GRM2ALDH1A1HPGD

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 11 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
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — US claimed
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 12/4885ADCY1 512/4885KCNH2 1551/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885ADCY1 512/4885KCNH2 1551/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885ADCY1 993/4885KCNH2 2363/4885

“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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