SCHEMBL25754736

SCHEMBL25754736

COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 1/20 0.67
MCOLN3 Q8TDD5 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HPGD P15428 2/20 0.65
TSHR P16473 6/20 0.65
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
KDM4E B2RXH2 3/20 0.64
GAA P10253 3/20 0.61
POLB P06746 2/20 0.61
RAB9A P51151 1/20 0.61
NPBWR1 P48145 1/20 0.61
HTT P42858 1/20 0.58
USP2 O75604 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
SCHEMBL281571 0.90 MCOLN3 (0.65) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29452168 0.89 ALDH1A1 (0.61) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL25359140 0.87 HTT (0.63) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL23326940 0.82 L3MBTL1 (0.97) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29451251 0.82 L3MBTL1 (0.97) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL23326896 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL30892438 0.81 ALDH1A1 (1.00) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL22734825 0.81 L3MBTL1 (1.00) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL6660363 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29451864 0.80 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1

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 ALDH1A1 2569/4885KMT2A 4864/4885SMN1; SMN2 405/4885

“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.