SCHEMBL4082361

SCHEMBL4082361

CCC(O)(CC)c1nnc(NCc2ccc3c(-c4cccc(C)c4)cc(=O)oc3c2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.62
▸ CA12 O43570 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ KCNA3 P22001 1/20 0.41
▸ ALDH1A1 P00352 10/20 0.41
▸ HPGD P15428 8/20 0.41
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH2 P05091 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ SORD Q00796 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
SCHEMBL4078102 0.91 ALOX5 (0.68) ALOX5CA12CA9ALDH1A1HPGD
SCHEMBL4083429 0.90 ALOX5 (0.68) ALOX5CA12CA9ALDH1A1HPGD
SCHEMBL27720346 0.90 ALOX5 (0.60) ALOX5CA12CA9ALDH1A1HPGD
SCHEMBL4083470 0.90 ALOX5 (0.60) ALOX5CA12CA9KCNA3ALDH1A1
SCHEMBL4084878 0.87 ALOX5 (0.61) ALOX5CA12CA9KCNA3ALDH1A1
SCHEMBL4076109 0.86 ALOX5 (0.58) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4080470 0.86 ALOX5 (0.82) ALOX5CA12CA9ALDH1A1HPGD
SCHEMBL4088580 0.85 ALOX5 (0.68) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL27720336 0.82 ALOX5 (0.60) ALOX5KCNA3ALDH1A1HPGDUSP2
SCHEMBL4080760 0.81 ALOX5 (0.67) ALOX5CA12CA9ALDH1A1HPGD

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 9 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
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
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 12/4885CA12 4324/4885CA9 3599/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885CA12 4324/4885CA9 3599/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885CA12 4503/4885CA9 3221/4885

“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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