SCHEMBL21708236

SCHEMBL21708236

COc1ccc(NS(=O)(=O)c2cccc(C)c2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
FFAR4 Q5NUL3 2/20 0.53
ALDH1A1 P00352 3/20 0.52
ALDH3A1 P30838 1/20 0.52
RELA Q04206 1/20 0.52
POLB P06746 2/20 0.50
SLC40A1 Q9NP59 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL21708243 0.91 KEAP1 (0.65) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL29470853 0.88 MAPT (0.65) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL8752415 0.88 MAPT (0.65) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL6831954 0.88 MAPT (0.71) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL21708219 0.87 MAPT (0.54) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL21708265 0.86 MAPT (0.62) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL21708322 0.84 MEN1 (0.60) MAPTMEN1KMT2ATDP1LMNA
Water SCHEMBL29037310 0.84 MAPT (0.61) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL28702766 0.82 PGR (0.60) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL21708362 0.81 LMNA (0.58) MAPTMEN1KMT2ATDP1LMNA

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 MAPT 2599/4885MEN1 4456/4885KMT2A 2316/4885

“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.