SCHEMBL21708253

SCHEMBL21708253

COc1ccc(N)c(-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 5/20 0.55
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP2C19 P33261 1/20 0.45
SQOR Q9Y6N5 1/20 0.44
GSK3B P49841 1/20 0.44
APP P05067 1/20 0.44
MAPK14 Q16539 2/20 0.43
GCGR P47871 1/20 0.43

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
SCHEMBL12493313 0.89 RELA (0.49) RELACYP3A4ALDH1A1NPC1RAB9A
SCHEMBL3789140 0.85 TDP1 (0.56) RELACYP3A4ALDH1A1NPC1RAB9A
SCHEMBL225282 0.83 CYP11B1 (0.58) RELACYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL1578362 0.82 MEN1 (0.50) CYP3A4ALDH1A1NPC1RAB9AKMT2A
SCHEMBL28113571 0.82 HDAC3 (0.49) RELACYP3A4ALDH1A1RAB9AKMT2A
SCHEMBL3785577 0.81 ALDH1A1 (0.50) CYP3A4ALDH1A1NPC1RAB9AKMT2A
SCHEMBL29492486 0.81 ALDH1A1 (0.50) CYP3A4ALDH1A1NPC1RAB9AKMT2A
SCHEMBL21708258 0.81 CYP3A4 (0.47) RELACYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL30206743 0.80 ALDH1A1 (0.61) CYP3A4ALDH1A1NPC1RAB9AKMT2A
SCHEMBL30206740 0.80 ALDH1A1 (0.61) CYP3A4ALDH1A1NPC1RAB9AKMT2A

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 RELA 3476/4885CYP3A4 1343/4885ALDH1A1 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.