SCHEMBL4604129

SCHEMBL4604129

CCC#CCOc1nsc(-c2cccc(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
GRM5 P41594 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DHFR P00374 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4604966 0.89 GRM5 (0.38) TRPM8GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4605578 0.72 ADORA3 (0.42) NPC1RAB9ASMN1; SMN2POLBHRH3
SCHEMBL25200997 0.67 HSD17B1 (0.42) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL4606116 0.66 KMT2A (0.43) TRPM8NPC1RAB9ASMN1; SMN2DHFR
SCHEMBL4606264 0.66 ADORA3 (0.45) NPC1RAB9ASMN1; SMN2POLBADORA3
SCHEMBL6579923 0.65 CYP19A1 (0.51) RAB9ASMN1; SMN2CYP19A1KDM4EALDH1A1
SCHEMBL4605302 0.64 KMT2A (0.44) TRPM8NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6581805 0.64 HSD17B1 (0.55) TRPM8RAB9ASMN1; SMN2POLBCYP19A1
SCHEMBL6581716 0.62 ADORA3 (0.46) NPC1RAB9ASMN1; SMN2HRH3ADORA3
SCHEMBL4606677 0.62 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 TRPM8 3602/4885GRM5 1314/4885NPC1 2107/4885

“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.