SCHEMBL21708269

SCHEMBL21708269

CCOc1ccc([N+](=O)[O-])c(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPK1 P28482 4/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ PKM P14618 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ PTGES O14684 1/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 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
SCHEMBL9312797 0.83 ALDH1A1 (0.56) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL21708255 0.79 ALDH1A1 (0.51) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL21708228 0.79 ALDH1A1 (0.51) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL6677275 0.79 MAPT (0.73) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL15677780 0.78 TDP1 (0.53) ALDH1A1KMT2AMEN1TDP1RAB9A
SCHEMBL22291692 0.76 MAPT (0.69) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL5004832 0.76 ALDH1A1 (0.69) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL7975715 0.76 RAB9A (0.56) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL5005582 0.76 MAPT (0.63) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL27708859 0.75 MAPT (0.64) MAPTALDH1A1LMNAMAPK1KMT2A

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 MAPT 2599/4885ALDH1A1 2624/4885LMNA 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.

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