SCHEMBL5008339

SCHEMBL5008339

O=c1ccc2ccc(-c3ccccc3Br)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
CA1 P00915 5/20 0.50
CA3 P07451 4/20 0.50
CA4 P22748 4/20 0.50
CA7 P43166 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA5A P35218 3/20 0.50
CA2 P00918 3/20 0.50
MCL1 Q07820 3/20 0.50
CA6 P23280 3/20 0.50
CA5B Q9Y2D0 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL19317202 0.79 CA12 (0.53) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15842362 0.78 PGR (0.77) CYP19A1KDM4EALDH1A1HPGDHSD17B10
Hydrogen Sulfide SCHEMBL27593454 0.77 PGR (0.56) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5008341 0.76 CYP19A1 (0.67) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28055655 0.75 PGR (0.54) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9174598 0.73 PGR (0.51) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL366996 0.71 GSTP1 (0.57) CYP19A1KDM4EALDH1A1HSD17B10CA9
SCHEMBL11033273 0.71 CA12 (0.59) CYP19A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29800392 0.71 GSTP1 (0.57) CYP19A1KDM4EALDH1A1HSD17B10CA9
Coumarin SCHEMBL28058711 0.71 CA12 (0.87) KDM4EALDH1A1HPGDHSD17B10LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CYP19A1 727/4885KDM4E 4278/4885ALDH1A1 123/4885

“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.