SCHEMBL4082802

SCHEMBL4082802

CCC(O)(CC)c1nnc(NCc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.50
▸ KMT2A Q03164 9/20 0.43
▸ ALDH1A1 P00352 9/20 0.43
▸ HPGD P15428 8/20 0.43
▸ KDM4E B2RXH2 8/20 0.43
▸ MEN1 O00255 7/20 0.43
▸ HTT P42858 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ AKR1B1 P15121 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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 0.84 ALOX5 (0.68) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL4075816 0.82 ALOX5 (0.63) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL4078791 0.82 ALOX5 (0.75) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL27720329 0.78 ALDH1A1 (0.43) KMT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL4082361 0.76 ALOX5 (0.62) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL4080470 0.76 ALOX5 (0.82) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL4083429 0.76 ALOX5 (0.68) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL4088580 0.75 ALOX5 (0.68) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL4083470 0.75 ALOX5 (0.60) ALOX5KMT2AALDH1A1HPGDKDM4E
SCHEMBL27720346 0.75 ALOX5 (0.60) ALOX5KMT2AALDH1A1HPGDKDM4E

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 10 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
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 12/4885KMT2A 4165/4885ALDH1A1 431/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885KMT2A 4165/4885ALDH1A1 431/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885KMT2A 3396/4885ALDH1A1 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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