SCHEMBL5008342

SCHEMBL5008342

O=c1oc2cc(Br)ccc2cc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
RAB9A P51151 6/20 0.68
MAOB P27338 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MIF P14174 2/20 0.68
ALDH1A1 P00352 2/20 0.68
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
GLA P06280 1/20 0.57
TP53 P04637 1/20 0.54
ESR2 Q92731 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
PGR P06401 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
ESR1 P03372 1/20 0.53
GAPDH P04406 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL28045576 0.90 MIF (0.77) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL7124667 0.82 KDM4E (0.75) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL30356319 0.81 RAB9A (1.00) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL177366 0.81 RAB9A (1.00) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL591688 0.81 MIF (1.00) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL12304339 0.81 MAOB (0.77) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL9368300 0.81 NPC1 (0.68) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL984946 0.81 NPC1 (0.77) NPC1RAB9AMAOBKDM4EMIF
Hydrochloric Acid SCHEMBL11826347 0.79 NPC1 (0.75) NPC1RAB9AMAOBKDM4EMIF
SCHEMBL4054863 0.79 RAB9A (0.73) NPC1RAB9AMAOBKDM4EMIF

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 NPC1 497/4885RAB9A 4507/4885MAOB 2936/4885

“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.