SCHEMBL4083470

SCHEMBL4083470

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.60
▸ KCNA3 P22001 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 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
SCHEMBL4084878 0.92 ALOX5 (0.61) ALOX5KCNA3ALDH1A1HPGDLMNA
SCHEMBL4076109 0.91 ALOX5 (0.58) ALOX5ALDH1A1HPGDLMNAKDM4E
SCHEMBL4088580 0.91 ALOX5 (0.68) ALOX5ALDH1A1HPGDLMNAKDM4E
SCHEMBL4082361 0.90 ALOX5 (0.62) ALOX5KCNA3ALDH1A1HPGDLMNA
SCHEMBL4078102 0.89 ALOX5 (0.68) ALOX5ALDH1A1HPGDLMNAKDM4E
SCHEMBL4083429 0.89 ALOX5 (0.68) ALOX5ALDH1A1HPGDLMNAKDM4E
SCHEMBL27720346 0.88 ALOX5 (0.60) ALOX5ALDH1A1HPGDLMNAKDM4E
SCHEMBL27720336 0.84 ALOX5 (0.60) ALOX5KCNA3ALDH1A1HPGDLMNA
SCHEMBL4080470 0.84 ALOX5 (0.82) ALOX5ALDH1A1HPGDLMNAKDM4E
SCHEMBL4080760 0.79 ALOX5 (0.67) ALOX5ALDH1A1HPGDLMNAKDM4E

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 12/4885KCNA3 2582/4885ALDH1A1 431/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885KCNA3 2582/4885ALDH1A1 431/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885KCNA3 2799/4885ALDH1A1 1865/4885

“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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