SCHEMBL21708258

SCHEMBL21708258

COc1ccc(N)c(-c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47
CYP3A7 P24462 1/20 0.47
CYP2F1 P24903 1/20 0.47
CYP2C18 P33260 1/20 0.47
CYP2J2 P51589 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4F8 P98187 1/20 0.47
CYP4A11 Q02928 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
SCHEMBL28255761 0.86 TDO2 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16290603 0.83 CYP1A1 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3790187 0.83 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5803148 0.82 CYP1A1 (0.49) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21708253 0.81 RELA (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29492486 0.81 ALDH1A1 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3785577 0.81 ALDH1A1 (0.50) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15011871 0.81 CYP1A1 (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1816063 0.80 CYP1A1 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL654303 0.80 ALDH1A1 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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 CYP3A4 1343/4885CYP1A2 1604/4885CYP2D6 2899/4885

“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.