SCHEMBL753438

SCHEMBL753438

COC(=O)c1nccnc1CSCc1c(F)ccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
P2RX7 Q99572 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSP90AA1 P07900 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MET P08581 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.33
S1PR4 O95977 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL18191226 0.83 LMNA (0.42) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL751686 0.81 ALDH1A1 (0.37) ALDH1A1P2RX7L3MBTL1HSP90AA1MET
SCHEMBL270112 0.73 ACLY (0.37) ALDH1A1P2RX7L3MBTL1KMT2AMEN1
SCHEMBL15218187 0.70 L3MBTL1 (0.30) L3MBTL1
SCHEMBL749567 0.69 HPGD (0.46) ALDH1A1HPGDL3MBTL1HSP90AA1KMT2A
SCHEMBL271319 0.68 POLB (0.35) ALDH1A1P2RX7
SCHEMBL18191253 0.68 LMNA (0.41) ALDH1A1HPGDL3MBTL1KMT2ATDP1
SCHEMBL18191250 0.68 L3MBTL1 (0.43) ALDH1A1TP53L3MBTL1KMT2AKDM4E
SCHEMBL260790 0.68 P2RX7 (0.42) ALDH1A1P2RX7KMT2ARAB9ALMNA
SCHEMBL28563114 0.67 L3MBTL1 (0.45) ALDH1A1L3MBTL1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 139/4885HPGD 438/4885TP53 2967/4885

“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.