SCHEMBL2053415

SCHEMBL2053415

CCC(C)n1nccc1-c1cc(C)cs1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL2052712 0.85 NR3C2 (0.40) GRIN1GRIN2BALDH1A1KDM5B
SCHEMBL2050987 0.77 HPGD (0.43) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2050668 0.76 GRIN2B (0.38) GRIN1GRIN2BALDH1A1HPGD
SCHEMBL2053197 0.74 NR3C2 (0.42) GRIN1GRIN2B
SCHEMBL2053272 0.73 COMT (0.41) GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL2052062 0.70 NR3C2 (0.40)
SCHEMBL2931061 0.69 ALDH1A1 (0.52) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2051571 0.69 MET (0.39) GRIN1GRIN2BKDM5B
SCHEMBL2053942 0.65 TDP2 (0.36) GRIN2BKDM5B
SCHEMBL21133940 0.64 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN 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 L3MBTL1 445/4885GRIN1 417/4885GRIN2B 2239/4885

“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.