SCHEMBL14601697

SCHEMBL14601697

O=[N+]([O-])c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.68
HTT P42858 3/20 0.68
NOD1 Q9Y239 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 1/20 0.68
ALOX5 P09917 1/20 0.67
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
GAA P10253 3/20 0.65
ALDH1A1 P00352 2/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
MET P08581 1/20 0.52

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
SCHEMBL3471718 0.87 MET (0.70) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL19911385 0.85 ALDH1A1 (0.67) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL19911406 0.85 ALOX5 (0.60) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL422055 0.83 ALDH3A1 (0.77) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL12271942 0.81 ALDH1A1 (0.51) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL3472185 0.81 ALOX5 (1.00) ALDH3A1HTTL3MBTL1POLBALOX5
SCHEMBL3470648 0.81 ALOX5 (0.75) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL32679275 0.81 ALDH3A1 (0.73) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL8329551 0.81 ALDH3A1 (1.00) ALDH3A1HTTNOD1L3MBTL1POLB
SCHEMBL7366346 0.79 KMT2A (1.00) ALDH3A1HTTNOD1L3MBTL1POLB

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-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 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-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 ALDH3A1 1297/4885HTT 2299/4885NOD1 583/4885

“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.