SCHEMBL7007500

SCHEMBL7007500

NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP3A4 P08684 4/20 0.60
SCN1A P35498 3/20 0.60
SCN2A Q99250 3/20 0.60
SCN3A Q9NY46 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
NPY5R Q15761 4/20 0.60
CYP19A1 P11511 1/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55

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
SCHEMBL7898705 1.00 ALDH1A1 (0.60) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL25166782 1.00 ALDH1A1 (0.60) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL6792141 0.99 SCN1A (0.61) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL7899203 0.99 KMT2A (0.61) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL7523378 0.95 NPY5R (0.55) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL12720636 0.94 KMT2A (0.63) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL3540913 0.94 KMT2A (0.66) ALDH1A1KMT2AMEN1NPY5RCYP19A1
SCHEMBL8342506 0.93 KMT2A (0.56) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL31284709 0.93 KMT2A (0.68) ALDH1A1KMT2AMEN1NPY5RCYP19A1
SCHEMBL8342508 0.92 KMT2A (0.57) ALDH1A1CYP3A4SCN1ASCN2ASCN3A

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 ALDH1A1 689/4885CYP3A4 746/4885SCN1A 2284/4885

“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.