SCHEMBL21708291

SCHEMBL21708291

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
APP P05067 1/20 0.38
ESR1 P03372 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAOB P27338 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36

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
SCHEMBL21708288 0.92 POLB (0.51) POLBMCOLN3ALDH1A1GAANPSR1
SCHEMBL21708308 0.91 POLB (0.51) POLBMCOLN3ALDH1A1GAANPSR1
SCHEMBL21708215 0.90 POLB (0.53) POLBMCOLN3ALDH1A1GAANPSR1
SCHEMBL21708237 0.89 POLB (0.52) POLBMCOLN3ALDH1A1LMNAMAPT
SCHEMBL21708314 0.88 POLB (0.55) POLBMCOLN3ALDH1A1GAANPSR1
SCHEMBL21708217 0.87 POLB (0.47) POLBMCOLN3ALDH1A1GAANPSR1
SCHEMBL21708241 0.84 LMNA (0.46) POLBMCOLN3ALDH1A1NPSR1LMNA
SCHEMBL21708278 0.81 NPSR1 (0.48) POLBMCOLN3ALDH1A1GAANPSR1
SCHEMBL21708261 0.81 POLB (0.45) POLBMCOLN3ALDH1A1NPSR1LMNA
SCHEMBL21834596 0.79 POLB (0.56) POLBMCOLN3MAPTMEN1KMT2A

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 4 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 claimed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 EP claimed
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 1672/4885ALDH1A1 2624/4885

“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.