SCHEMBL2052358

SCHEMBL2052358

CCC(C)n1cc(-c2ccnc(C(=O)NC(C)C)c2)c(-c2ccc(Cl)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN2B Q13224 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
F10 P00742 2/20 0.33
CTSA P10619 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 1/20 0.33
PRKCZ Q05513 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL2051404 0.83 AAK1 (0.39)
SCHEMBL2053612 0.83 GRIN2B (0.34) ALDH1A1GRIN2BL3MBTL1
SCHEMBL2050805 0.81 HSD17B1 (0.33) GRIN2B
SCHEMBL2051153 0.79 LRRK2 (0.33) GRIN2B
SCHEMBL2050657 0.79 MAPK13 (0.36) KDM4EHSD17B10GRIN2BBRAF
SCHEMBL2051408 0.76 MAPK14 (0.42) ALDH1A1KDM4EGRIN2BNPC1RAB9A
SCHEMBL2053768 0.75 OGA (0.31)
SCHEMBL13506674 0.73 MEN1 (0.41) NPC1RAB9A
SCHEMBL2051579 0.73 GRIN2B (0.34) NAMPTALDH1A1GRIN2BF10BRAF
SCHEMBL2053541 0.72 HSD17B1 (0.36) ALDH1A1GRIN2BL3MBTL1BRAF

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 ANO1 2160/4885KDM4C 1880/4885NAMPT 2246/4885

“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.