SCHEMBL4605030

SCHEMBL4605030

C[S+]([O-])c1nsc(-c2ccccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 4/20 0.35
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
CYP19A1 P11511 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL4606077 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1TDP1KDM4EKMT2A
SCHEMBL4605715 0.71 HSP90AA1 (0.49) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL5306350 0.69 ALDH1A1 (0.38) ALDH1A1TDP1KDM4EHPGDHSD17B10
SCHEMBL4606713 0.69 PTGS2 (0.46) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL4852306 0.68
SCHEMBL8796668 0.65 PTGS2 (0.57) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL9868004 0.64 NPC1 (0.47) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL2096015 0.62 ALDH1A1 (0.59) ALDH1A1L3MBTL1TDP1KDM4EHPGD
1,2-Dichlorobenzene SCHEMBL2922912 0.62 TSHR (0.62) ALDH1A1LMNAHSD11B1CYP2A6
SCHEMBL2095721 0.61 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1KDM4EHPGD

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-1574505-B1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-7361675-B2 1,2,4-thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-04-22 US disclosed
US-20060167266-A1 1,2,4- thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US disclosed
EP-1574505-A1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-09-14 EP 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-20060167266-A1 1,2,4- thiadiazole compounds and use thereof CBR3, CBR1, NOX3 ALDH1A1 518/4885L3MBTL1 166/4885TDP1 2099/4885

“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.