SCHEMBL21708230

SCHEMBL21708230

COc1ccc(NS(=O)(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.59
RELA Q04206 3/20 0.58
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
USP8 P40818 1/20 0.51
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
SQSTM1 Q13501 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
ALDH3A1 P30838 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL21708333 0.85 MAPT (0.56) SLC40A1RELAMAPTMEN1KMT2A
SCHEMBL21708300 0.84 KMT2A (0.60) SLC40A1RELAMAPTMEN1KMT2A
SCHEMBL21708322 0.82 MEN1 (0.60) SLC40A1RELAMAPTMEN1KMT2A
SCHEMBL29470853 0.81 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8752415 0.81 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21708243 0.80 KEAP1 (0.65) SLC40A1RELAMAPTMEN1KMT2A
SCHEMBL21708265 0.79 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2LMNA
Water SCHEMBL29037310 0.78 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21708236 0.77 MAPT (0.60) SLC40A1RELAMAPTMEN1KMT2A
SCHEMBL5762687 0.76 MEN1 (0.55) MAPTMEN1KMT2ASMN1; SMN2LMNA

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-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-04-15 US disclosed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 EP 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-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY FLNA, FLNB, BRI3BP SLC40A1 447/4885RELA 3476/4885MAPT 2599/4885

“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.