SCHEMBL13290355

SCHEMBL13290355

O=c1cc(-c2cc(F)cc(F)c2)c2ccc(F)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.49
CA9 Q16790 8/20 0.49
MAOB P27338 4/20 0.49
AKR1B1 P15121 2/20 0.49
ALDH2 P05091 1/20 0.49
MAOA P21397 1/20 0.49
HSD17B3 P37058 1/20 0.49
SORD Q00796 1/20 0.49
PGR P06401 1/20 0.44
NOD2 Q9HC29 1/20 0.43
ALOX5 P09917 2/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.43
NQO1 P15559 1/20 0.42

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
SCHEMBL2994964 0.78 CA9 (0.51) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL15842410 0.77 MAOB (0.47) CA12CA9MAOBAKR1B1HSD17B3
SCHEMBL2985971 0.76 CA12 (0.50) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL21648244 0.76 CA12 (0.74) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL3018453 0.76 CA12 (0.65) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL4077549 0.76 CA12 (0.65) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL21629542 0.76 CA12 (0.72) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL759601 0.76 CA12 (0.64) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL27771665 0.74 CA12 (0.45) CA12CA9MAOBAKR1B1ALDH2
SCHEMBL4077626 0.74 CA12 (0.48) CA12CA9MAOBAKR1B1ALDH2

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 4 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-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

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-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 CA12 3849/4885CA9 2746/4885MAOB 2098/4885

“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.