SCHEMBL7008403

SCHEMBL7008403

NC(=O)CCCNS(=O)(=O)c1c(CCCCCCNc2nsc3nccn23)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 10/20 0.61
TGM1 P22735 4/20 0.53
NPY5R Q15761 3/20 0.34
MTNR1A P48039 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
BRAF P15056 1/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC2A1 P11166 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 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
SCHEMBL7007048 0.94 F13A1 (0.63) F13A1TGM1ALDH1A1
SCHEMBL7004052 0.89 F13A1 (0.56) F13A1TGM1CYP1A2CYP3A4CYP2C9
SCHEMBL7007005 0.80 F13A1 (0.75) F13A1TGM1NPY5RAGTR1AGTR2
SCHEMBL7005996 0.78 F13A1 (0.54) F13A1TGM1NPY5RAGTR1AGTR2
SCHEMBL7007806 0.77 F13A1 (1.00) F13A1TGM1BRAFKDM4EALDH1A1
SCHEMBL7005909 0.77 F13A1 (0.79) F13A1TGM1NPY5RALDH1A1HTR1A
SCHEMBL7002753 0.77 F13A1 (0.75) F13A1TGM1NPY5RKDM4EALDH1A1
SCHEMBL7007822 0.76 F13A1 (0.75) F13A1TGM1NPY5RSCN1ASCN2A
SCHEMBL7007196 0.74 F13A1 (0.54) F13A1TGM1NPY5RAGTR1AGTR2
SCHEMBL7006075 0.74 F13A1 (0.78) F13A1TGM1NPY5RAGTR1AGTR2

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 7/4885NPY5R 4498/4885

“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.