SCHEMBL2042913

SCHEMBL2042913

O=C(Cc1ccnc(Cl)c1)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
RECQL P46063 2/20 0.47
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
THRB P10828 1/20 0.44
LOX P28300 1/20 0.44
LOXL3 P58215 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
F2 P00734 1/20 0.42
DAO P14920 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 7/20 0.41
MAPT P10636 3/20 0.41
MCL1 Q07820 1/20 0.41
ALOX12 P18054 1/20 0.39

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
SCHEMBL2048456 0.81 GSK3B (0.56) GSK3BRECQLALDH1A1L3MBTL1THRB
SCHEMBL9990967 0.76 GSK3B (0.53) GSK3BALDH1A1KMT2AMEN1NPC1
SCHEMBL2371002 0.74 GABRP (0.62) RECQLALDH1A1LOXLOXL3LOXL2
SCHEMBL29421806 0.74 GABRP (0.62) RECQLALDH1A1LOXLOXL3LOXL2
SCHEMBL2041864 0.73 GSK3B (0.50) GSK3BRECQLALDH1A1L3MBTL1THRB
SCHEMBL1886874 0.73 RECQL (0.58) GSK3BRECQLALDH1A1L3MBTL1LOX
SCHEMBL5610968 0.73 LOXL2 (0.58) RECQLALDH1A1LOXLOXL3LOXL2
SCHEMBL5233280 0.72 RECQL (0.49) RECQLALDH1A1L3MBTL1LOXLOXL3
SCHEMBL2980415 0.72 RAB9A (0.50) RECQLALDH1A1L3MBTL1LOXLOXL3
SCHEMBL10612482 0.71 GSK3B (0.50) GSK3BRECQLALDH1A1L3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 GSK3B 3357/4885RECQL 112/4885ALDH1A1 1184/4885

“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.