SCHEMBL21708322

SCHEMBL21708322

COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
RELA Q04206 1/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.54
SLC40A1 Q9NP59 1/20 0.53
PLAU P00749 4/20 0.53
KEAP1 Q14145 3/20 0.53
NFE2L2 Q16236 3/20 0.53
ALDH3A1 P30838 1/20 0.53
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
SQSTM1 Q13501 1/20 0.51
AGTR1 P30556 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8752415 0.89 MAPT (0.65) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL29470853 0.89 MAPT (0.65) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL21708243 0.88 KEAP1 (0.65) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL21708265 0.87 MAPT (0.62) MEN1KMT2AMAPTTDP1SMN1; SMN2
Water SCHEMBL29037310 0.85 MAPT (0.61) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL21708236 0.84 MAPT (0.60) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL6831954 0.84 MAPT (0.71) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL28702766 0.83 PGR (0.60) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL21708219 0.83 MAPT (0.54) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL21708362 0.82 LMNA (0.58) MEN1KMT2AMAPTTDP1SMN1; SMN2

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 MEN1 4456/4885KMT2A 2316/4885MAPT 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.