SCHEMBL21708228

SCHEMBL21708228

CC(C)Oc1ccc([N+](=O)[O-])c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
POLB P06746 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
MAPK1 P28482 1/20 0.47
STAT1 P42224 1/20 0.47
HIF1A Q16665 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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 0.83 ALDH1A1 (0.56) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL1242385 0.82 EIF4E (0.42) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL21708269 0.79 MAPT (0.60) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL21708255 0.79 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL9940716 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL15677780 0.78 TDP1 (0.53) ALDH1A1TDP1KMT2AMEN1NPC1
SCHEMBL28870755 0.76 PDK1 (0.51) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL6584963 0.76 TSHR (0.51) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL6164746 0.76 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL24553617 0.75 MAPT (0.62) ALDH1A1TDP1KMT2AMEN1MAPT

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 ALDH1A1 2624/4885TDP1 4588/4885KMT2A 2316/4885

“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.