SCHEMBL21496306

SCHEMBL21496306

Nc1c(NC(=O)O)cc(F)c(NCc2ncc(C(F)(F)F)cc2F)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 7/20 0.59
▸ KCNQ3 O43525 6/20 0.59
▸ KCNQ4 P56696 4/20 0.59
▸ KCNQ5 Q9NR82 4/20 0.59
▸ AGBL2 Q5U5Z8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ RIOX2 Q8IUF8 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21496316 0.87 KCNQ2 (0.56) KCNQ2KCNQ3KCNQ4KCNQ5AGBL2
SCHEMBL21496312 0.86 KCNQ2 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5AGBL2
SCHEMBL21501814 0.85 KCNQ2 (0.80) KCNQ2KCNQ3KCNQ4KCNQ5CYP2C19
SCHEMBL29721511 0.85 KCNQ2 (0.80) KCNQ2KCNQ3KCNQ4KCNQ5CYP2C19
SCHEMBL23701891 0.81 KCNQ2 (0.59) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL29721925 0.77 KCNQ3 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL21501793 0.77 KCNQ3 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL21501785 0.75 KCNQ2 (0.80) KCNQ2KCNQ3KCNQ4KCNQ5CYP2C19
SCHEMBL29721679 0.75 KCNQ2 (0.80) KCNQ2KCNQ3KCNQ4KCNQ5CYP2C19
SCHEMBL15347739 0.72 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
US-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — US disclosed
WO-2019203951-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-10-24 — — WO 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 (2 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-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS KCNH3, KCNH2, KCNJ11 KCNQ2 35/4885KCNQ3 43/4885KCNQ4 48/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 KCNQ2 35/4885KCNQ3 43/4885KCNQ4 48/4885

“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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