SCHEMBL1490920

SCHEMBL1490920

O=c1ccc2c[c]c(O)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 13/20 0.56
CA12 O43570 11/20 0.56
MCL1 Q07820 7/20 0.56
KDM4E B2RXH2 6/20 0.56
GAA P10253 6/20 0.56
CA1 P00915 6/20 0.56
AKR1B1 P15121 5/20 0.56
HSD17B10 Q99714 5/20 0.56
GLA P06280 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
ERAP1 Q9NZ08 3/20 0.56
ACHE P22303 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 2/20 0.56
HIF1A Q16665 2/20 0.56

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
SCHEMBL5203277 0.78 CA9 (0.47) CA9CA12MCL1KDM4EGAA
SCHEMBL5200967 0.78 CA12 (0.47) CA9CA12MCL1KDM4EGAA
SCHEMBL5204008 0.78 ALDH1A1 (0.50) CA9CA12MCL1KDM4EGAA
SCHEMBL5201844 0.77 CA9 (0.50) CA9CA12MCL1KDM4EGAA
SCHEMBL5202137 0.74 PGR (0.47) CA9CA12MCL1KDM4EGAA
Umbelliferone SCHEMBL11137587 0.72 CA9 (1.00) CA9CA12MCL1KDM4EGAA
Esculetin SCHEMBL24641 0.72 CA9 (1.00) CA9CA12MCL1KDM4EGAA
Esculetin SCHEMBL29569228 0.72 CA9 (1.00) CA9CA12MCL1KDM4EGAA
Esculetin SCHEMBL6867015 0.72 CA9 (1.00) CA9CA12MCL1KDM4EGAA
Umbelliferone SCHEMBL29396070 0.72 CA9 (1.00) CA9CA12MCL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed
EP-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP disclosed
EP-0998474-A1 PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-05-10 EP disclosed
WO-1999003855-A1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-01-28 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 (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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB CA9 4862/4885CA12 4875/4885MCL1 1216/4885

“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.