SCHEMBL25754777

SCHEMBL25754777

O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
NHERF1 O14745 1/20 0.48
MCL1 Q07820 1/20 0.48
CES1 P23141 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
FSCN1 Q16658 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL30218156 0.85 IDH1 (0.54) IDH1CA1CA2MAPTHTT
SCHEMBL23832701 0.85 IDH1 (0.54) IDH1CA1CA2MAPTHTT
SCHEMBL7580547 0.84 IDH1 (0.71) IDH1NHERF1MCL1
SCHEMBL25754707 0.82 MAPT (0.54) IDH1MAPTHTTMEN1KMT2A
SCHEMBL25759085 0.81 IDH1 (0.53) IDH1MAPTHTTMEN1KMT2A
SCHEMBL25754726 0.81 IDH1 (0.61) IDH1HTTNPSR1ALDH1A1POLB
SCHEMBL27179777 0.81 MAPT (0.67) IDH1MAPTHTTMEN1KMT2A
SCHEMBL30218226 0.78 CA2 (0.46) IDH1CA1CA2MEN1KMT2A
SCHEMBL23832724 0.78 CA2 (0.46) IDH1CA1CA2MEN1KMT2A
SCHEMBL5230151 0.78 CES1 (0.73) CA1CA2MAPTHTTMEN1

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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 IDH1 442/4885CA1 4655/4885CA2 4344/4885

“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.