SCHEMBL7008963

SCHEMBL7008963

O=S(=O)(NCCCCCCNc1nsc2nccn12)c1ccc(Br)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 10/20 0.82
TGM1 P22735 4/20 0.64
BRAF P15056 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.40
RAF1 P04049 1/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7007806 0.90 F13A1 (1.00) F13A1TGM1BRAFALDH1A1PKM
SCHEMBL7008810 0.89 F13A1 (0.82) F13A1TGM1BRAFALDH1A1RAF1
SCHEMBL7008746 0.89 F13A1 (0.82) F13A1TGM1BRAFALDH1A1GAA
SCHEMBL7006992 0.89 F13A1 (1.00) F13A1TGM1BRAFALDH1A1RAF1
SCHEMBL7004156 0.89 F13A1 (0.77) F13A1TGM1BRAFALDH1A1RAF1
SCHEMBL7006624 0.88 F13A1 (0.82) F13A1TGM1ALDH1A1PKMKDM4E
SCHEMBL7007216 0.88 F13A1 (0.90) F13A1TGM1BRAFALDH1A1RAF1
SCHEMBL7005720 0.87 F13A1 (0.80) F13A1TGM1BRAFALDH1A1RAF1
SCHEMBL7011955 0.87 F13A1 (0.77) F13A1TGM1BRAFALDH1A1RAF1
SCHEMBL7009101 0.87 F13A1 (0.80) F13A1TGM1ALDH1A1PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225007-A1 Sulfonamide derivatives of 3-substituted imidazol[1,2-d]-1,2,4-thiadiazoles and 3-substituted-[1,2,4] thiadiazolo[4,5-a] benzimidazole as inhibitors of fibrin cross-linking and transglutaminases APOTEX INC. 2003-12-04 US disclosed
EP-1348710-A1 Sulfonamide derivatives of 3-substituted imidazo[1,2-D]-1,2,4-thiadiazoles and 3-substituted-[1,2,4]thiadiazolo[4,5-A]benzimidazole as inhibitors of fibrin cross-linking and transglutaminases Apotex Inc. (CA) 2003-10-01 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-20030225007-A1 Sulfonamide derivatives of 3-substituted imidazol[1,2-d]-1,2,4-thiadiazoles and 3-substituted-[1,2,4] thiadiazolo[4,5-a] benzimidazole as inhibitors of fibrin cross-linking and transglutaminases PIGS, FGB, SERPINE1 F13A1 14/4885TGM1 7/4885BRAF 3474/4885

“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.