SCHEMBL21623183

SCHEMBL21623183

Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1S(N)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 19/20 0.61
▸ KCNQ2 O43526 19/20 0.61
▸ KCNE1 P15382 14/20 0.61
▸ KCNQ1 P51787 14/20 0.61
▸ BACE1 P56817 1/20 0.56
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54

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
SCHEMBL21623567 0.82 CYP1A2 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5214671 0.81 KCNQ3 (0.78) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL21623225 0.78 CA2 (0.57) KCNQ3KCNQ2KCNE1KCNQ1CA1
SCHEMBL21623273 0.78 KCNQ3 (0.73) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5213999 0.77 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5215207 0.77 KCNQ3 (0.81) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5214441 0.76 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL21623152 0.76 LMNA (0.55) KCNQ3KCNQ2KCNE1KCNQ1CA1
SCHEMBL5213995 0.74 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL21623376 0.74 CYP1A2 (0.65) CA1CA2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US disclosed
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 — — US disclosed
CN-112912368-A Inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-06-04 — — CN disclosed
EP-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 — — EP disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — 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-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS HAVCR2, SLC10A1, HDGF KCNQ3 4616/4885KCNQ2 4490/4885KCNE1 4708/4885

“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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