SCHEMBL21708288

SCHEMBL21708288

CCN(CC)CCCN(c1ccc(OC)cc1[N+](=O)[O-])S(=O)(=O)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PGR P06401 2/20 0.42
ESR1 P03372 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
APP P05067 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39

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
SCHEMBL21708215 0.93 POLB (0.53) POLBMCOLN3LMNASMN1; SMN2MAPK1
SCHEMBL21708237 0.93 POLB (0.52) POLBMCOLN3LMNAKEAP1NFE2L2
SCHEMBL21708291 0.92 POLB (0.48) POLBMCOLN3LMNASMN1; SMN2MAPK1
SCHEMBL21708314 0.92 POLB (0.55) POLBMCOLN3LMNAKEAP1NFE2L2
SCHEMBL21708217 0.90 POLB (0.47) POLBMCOLN3LMNASMN1; SMN2MAPK1
SCHEMBL21708308 0.88 POLB (0.51) POLBMCOLN3LMNASMN1; SMN2MAPK1
SCHEMBL21708278 0.84 NPSR1 (0.48) POLBMCOLN3LMNAKEAP1NFE2L2
SCHEMBL21708261 0.84 POLB (0.45) POLBMCOLN3LMNASMN1; SMN2MAPK1
SCHEMBL21708241 0.83 LMNA (0.46) POLBMCOLN3LMNAALDH1A1NPSR1
SCHEMBL21834596 0.82 POLB (0.56) POLBMCOLN3KEAP1NFE2L2MAPT

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 POLB 4273/4885MCOLN3 1672/4885LMNA 970/4885

“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.