SCHEMBL30926480

SCHEMBL30926480

O=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc2N1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.79
POLB P06746 2/20 0.79
MAPT P10636 1/20 0.79
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
HSD17B10 Q99714 2/20 0.67
TDP1 Q9NUW8 1/20 0.59
SHMT2 P34897 1/20 0.55
MAPK1 P28482 1/20 0.54
MMP2 P08253 1/20 0.53
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
EPHX2 P34913 1/20 0.46
BRS3 P32247 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
SCHEMBL27180096 1.00 ALDH1A1 (0.79) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9491573 0.88 ALDH1A1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL30926569 0.86 MEN1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9489593 0.86 ALDH1A1 (0.79) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5250030 0.86 MEN1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9491786 0.86 ALDH1A1 (0.79) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9491005 0.83 ALDH1A1 (0.73) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL13985217 0.80 TDP1 (0.75) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5474178 0.77 POLB (0.73) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL13985123 0.77 HSD17B10 (0.80) ALDH1A1POLBMAPTMEN1KMT2A

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-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 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-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS APEH, ARSA, DNPEP ALDH1A1 1085/4885POLB 4136/4885MAPT 4236/4885

“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.