SCHEMBL21501778

SCHEMBL21501778

Nc1c(F)c(NCc2cnc(C(F)(F)F)cc2F)c(F)c(F)c1NC(=O)OC1CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 4/20 0.68
▸ KCNQ2 O43526 4/20 0.68
▸ KCNQ4 P56696 4/20 0.68
▸ KCNQ5 Q9NR82 4/20 0.68
▸ MAP4K1 Q92918 6/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CCNE1 P24864 7/20 0.32
▸ CDK2 P24941 7/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ GPR6 P46095 1/20 0.30
▸ CRACR2A Q9BSW2 1/20 0.30

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
SCHEMBL21501782 0.89 KCNQ2 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K1
SCHEMBL21501783 0.89 KCNQ2 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K1
SCHEMBL23711068 0.87 KCNQ3 (0.62) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K1
SCHEMBL21501781 0.84 KCNQ2 (0.63) KCNQ3KCNQ2KCNQ4KCNQ5CYP2D6
SCHEMBL29721771 0.83 KCNQ2 (0.70) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501772 0.83 KCNQ2 (0.70) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL23711128 0.76 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K1
SCHEMBL23711096 0.76 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5MAP4K1
SCHEMBL21501779 0.72 KCNQ2 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501775 0.72 KCNQ2 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5

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 KCNQ3 43/4885KCNQ2 35/4885KCNQ4 48/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 KCNQ3 43/4885KCNQ2 35/4885KCNQ4 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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