SCHEMBL21708340

SCHEMBL21708340

COc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
HSPB1 P04792 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGES O14684 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GSK3B P49841 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL9312797 0.84 ALDH1A1 (0.56) HTR7ALDH1A1TDP1MAPK1MAPT
SCHEMBL21708327 0.84 RAB9A (0.48) HTR7ALDH1A1TDP1ATMMAPK1
SCHEMBL11199415 0.84 ALDH1A1 (0.54) HTR7ALDH1A1TDP1MAPK1MAPT
SCHEMBL7250352 0.82 HTR7 (0.51) HTR7ALDH1A1TDP1ATMMAPK1
SCHEMBL15876263 0.79 CYP1A2 (0.50) HTR7ALDH1A1MAPK1MAPTHTT
SCHEMBL27225898 0.79 HTR7 (0.51) HTR7ALDH1A1TDP1MAPK1MAPT
SCHEMBL6362377 0.78 GSTP1 (0.49) HTR7ALDH1A1TDP1MAPK1MAPT
SCHEMBL21708368 0.78 RAB9A (0.53) ALDH1A1MAPK1MAPTKDM4EKMT2A
SCHEMBL2336139 0.78 HTR7 (0.56) HTR7ALDH1A1TDP1MAPK1MAPT
SCHEMBL29445159 0.77 TDP1 (0.58) HTR7ALDH1A1TDP1ATMMAPK1

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 HTR7 4103/4885ALDH1A1 2624/4885TDP1 4588/4885

“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.