SCHEMBL21708368

SCHEMBL21708368

COc1ccc([N+](=O)[O-])c(-c2ccccc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 4/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
DNMT3B Q9UBC3 4/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
EIF4E P06730 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL11199415 0.86 ALDH1A1 (0.54) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL31557632 0.85 EIF4E (0.57) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL20313197 0.82 DNMT3B (0.49) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL2818027 0.82 RAB9A (0.50) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL9312797 0.80 ALDH1A1 (0.56) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL17776261 0.80 ALDH1A1 (0.50) RAB9AKMT2AMEN1MAPTGAA
SCHEMBL15380170 0.80 TDP1 (0.59) RAB9AKMT2AMEN1MAPTHPGD
SCHEMBL29445159 0.79 TDP1 (0.58) RAB9AKMT2AMEN1MAPTHPGD
SCHEMBL6520 0.79 TDP1 (0.58) RAB9AKMT2AMEN1MAPTHPGD
SCHEMBL2327172 0.78 RAB9A (0.46) RAB9AKMT2AMEN1MAPTGAA

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 RAB9A 901/4885KMT2A 2316/4885MEN1 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.