SCHEMBL2991933

SCHEMBL2991933

COc1cccc(-c2cc(=O)oc3cc(Br)ccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
NOD2 Q9HC29 1/20 0.53
ALDH1A1 P00352 7/20 0.52
HPGD P15428 7/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.52
RECQL P46063 2/20 0.52
USP2 O75604 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL7809096 0.84 ALDH1A1 (0.45) KCNA3SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL5396788 0.84 KCNA3 (0.62) KCNA3SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL2689251 0.83 NOD2 (0.67) KMT2ANOD2ALDH1A1HPGDKDM4E
SCHEMBL757787 0.83 CA12 (0.71) KCNA3MAPTALDH1A1HPGDRECQL
SCHEMBL3761477 0.82 NOD2 (0.66) MAPTKMT2ANOD2ALDH1A1HPGD
SCHEMBL30228183 0.81 CA9 (0.68) SMN1; SMN2MAPTKMT2ANOD2ALDH1A1
SCHEMBL2979482 0.81 CA9 (0.68) SMN1; SMN2MAPTKMT2ANOD2ALDH1A1
SCHEMBL7660611 0.80 ALDH1A1 (0.56) KCNA3SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12227473 0.80 ALDH1A1 (0.68) SMN1; SMN2MEN1MAPTKMT2ANOD2
SCHEMBL14997043 0.80 ALDH1A1 (0.68) SMN1; SMN2MEN1MAPTKMT2ANOD2

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
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 US disclosed
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 US disclosed
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
US-7439260-B2 7-(1,3-thiazol-2-YL)thio-coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FORSST CANADA & CO. (CA) 2008-10-21 US disclosed
US-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors GAREAU YVES 2006-06-01 US disclosed
EP-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 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 (2 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-20060116406-A1 7-(1,3-thiazol-2-yl)thio!-coumarin derivatives and their use as leukotriene biosynthesis inhibitors LTC4S, LTA4H, CYSLTR1 KCNA3 4357/4885SMN1; SMN2 4838/4885MEN1 4377/4885
US-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 KCNA3 3692/4885SMN1; SMN2 3802/4885MEN1 3383/4885

“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.