SCHEMBL749567

SCHEMBL749567

COC(=O)c1nccnc1CSCc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
PARP1 P09874 1/20 0.36
MPO P05164 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL751200 0.84 HPGD (0.42) HPGDKDM4EL3MBTL1GAATSHR
SCHEMBL12433169 0.72 HPGD (0.58) HPGDKDM4EL3MBTL1GAAPOLB
SCHEMBL30714096 0.72 HPGD (0.58) HPGDKDM4EL3MBTL1GAAPOLB
SCHEMBL27847857 0.72 ABL1 (0.38) HPGDKDM4EL3MBTL1ABL1SRC
SCHEMBL18191250 0.71 L3MBTL1 (0.43) KDM4EL3MBTL1GAATSHRALDH1A1
SCHEMBL270666 0.71 ABL1 (0.38) HPGDKDM4EL3MBTL1ABL1SRC
SCHEMBL394073 0.70 L3MBTL1 (0.60) KDM4EL3MBTL1GAAPOLBTSHR
SCHEMBL749664 0.70 L3MBTL1 (0.44) KDM4EL3MBTL1GAAPOLBTDP1
SCHEMBL9957265 0.69 L3MBTL1 (0.46) KDM4EL3MBTL1ABL1SRCTDP1
SCHEMBL753438 0.69 ALDH1A1 (0.38) HPGDKDM4EL3MBTL1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102421783-B Herbicidal compounds SYNGENTA LTD 2014-08-06 CN disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
CN-102421783-A Herbicidal compounds SYNGENTA LTD 2012-04-18 CN disclosed
EP-2430028-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-03-21 EP disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 WO disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 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-20120115726-A1 HERBICIDAL COMPOUNDS DDT, NAT1, DDAH1 HPGD 438/4885KDM4E 2464/4885L3MBTL1 1473/4885

“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.