SCHEMBL6492002

SCHEMBL6492002

CN(C)S(=O)(=O)c1ccc(Cl)c(-n2ncc(C(=O)NC(=N)N)c2C2CC2)c1.CS(=O)(=O)c1ccc(Cl)c(-n2ncc(C(=O)NC(=N)N)c2C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.38
MAPK14 Q16539 2/20 0.38
KEAP1 Q14145 6/20 0.38
NFE2L2 Q16236 6/20 0.38
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SLC9A1 P19634 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 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
SCHEMBL4448873 0.97 SMN1; SMN2 (0.42) SMN1; SMN2NPC1MAPK14KEAP1NFE2L2
Hydrochloric Acid SCHEMBL6321478 0.96 SMN1; SMN2 (0.41) SMN1; SMN2NPC1MAPK14KEAP1NFE2L2
SCHEMBL4454362 0.94 MEN1 (0.39) KEAP1NFE2L2KMT2AMEN1SLC9A1
Hydrochloric Acid SCHEMBL6315706 0.93 MEN1 (0.38) SMN1; SMN2KEAP1NFE2L2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6314734 0.89 MAPK14 (0.41) SMN1; SMN2NPC1MAPK14KEAP1NFE2L2
SCHEMBL4454473 0.87 TP53 (0.40) MAPK14KEAP1NFE2L2KMT2AMEN1
Hydrochloric Acid SCHEMBL6312762 0.86 TP53 (0.39) SMN1; SMN2MAPK14KEAP1NFE2L2KMT2A
SCHEMBL4449007 0.86 SLC9A1 (0.39) KEAP1NFE2L2KMT2AMEN1SLC9A1
Hydrochloric Acid SCHEMBL6313083 0.85 SLC9A1 (0.39) SMN1; SMN2KEAP1NFE2L2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6321504 0.84 KEAP1 (0.40) SMN1; SMN2KEAP1NFE2L2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed

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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R SMN1; SMN2 1665/4885NPC1 3299/4885MAPK14 4288/4885

“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.