SCHEMBL21708268

SCHEMBL21708268

COc1ccc(N)c(-c2ccccc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ SCN2A Q99250 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL3783731 0.85 ALDH1A1 (0.52) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL30206743 0.83 ALDH1A1 (0.61) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL11004268 0.83 ALDH1A1 (0.61) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL30206740 0.83 ALDH1A1 (0.61) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL22537008 0.82 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30206678 0.81 ALDH1A1 (0.65) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL28588853 0.81 HDAC4 (0.58) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL321710 0.79 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL29132917 0.79 ALDH1A1 (0.46) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL19084974 0.77 CYP1A1 (0.56) NPC1RAB9AMAPTALDH1A1KDM4E

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 4 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
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
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 NPC1 49/4885RAB9A 901/4885MAPT 2599/4885

“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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