SCHEMBL21708333

SCHEMBL21708333

COc1ccc(NS(=O)(=O)c2ccccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RELA Q04206 1/20 0.55
SLC40A1 Q9NP59 1/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KEAP1 Q14145 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
TRIM24 O15164 1/20 0.50
BRD1 O95696 1/20 0.50
BRPF1 P55201 1/20 0.50
GAA P10253 1/20 0.48
NQO1 P15559 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
SCHEMBL21708300 0.87 KMT2A (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708230 0.85 SLC40A1 (0.59) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29470853 0.84 MAPT (0.65) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8752415 0.84 MAPT (0.65) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708265 0.82 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6831954 0.81 MAPT (0.71) MAPTSMN1; SMN2MEN1KMT2ALMNA
Water SCHEMBL29037310 0.81 MAPT (0.61) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708322 0.81 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708243 0.80 KEAP1 (0.65) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708236 0.80 MAPT (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA

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 2599/4885SMN1; SMN2 2121/4885MEN1 4456/4885

“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.