SCHEMBL21496323

SCHEMBL21496323

Nc1c(NC(=O)O)cc(C(F)(F)F)c(NCc2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 7/20 0.63
▸ KCNQ3 O43525 6/20 0.63
▸ KCNQ4 P56696 3/20 0.63
▸ KCNQ5 Q9NR82 3/20 0.63
▸ ASPH Q12797 2/20 0.43
▸ KDM8 Q8N371 2/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RIOX2 Q8IUF8 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ VNN1 O95497 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ TPH1 P17752 1/20 0.37

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
SCHEMBL29721741 0.87 KCNQ2 (0.83) KCNQ2KCNQ3KCNQ4KCNQ5ASPH
SCHEMBL21501784 0.87 KCNQ2 (0.83) KCNQ2KCNQ3KCNQ4KCNQ5ASPH
SCHEMBL17749067 0.82 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5ASPH
SCHEMBL15347739 0.77 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5PPARA
SCHEMBL23701891 0.76 KCNQ2 (0.59) KCNQ2KCNQ3KCNQ4KCNQ5PPARA
SCHEMBL21496311 0.75 KCNQ2 (0.53) KCNQ2KCNQ3KCNQ4KCNQ5ASPH
SCHEMBL27728996 0.75 FFAR1 (0.55) KCNQ2KCNQ3ASPHKDM8PPARA
SCHEMBL19690431 0.72 FFAR1 (0.58) KCNQ2KCNQ3ASPHKDM8PPARA
SCHEMBL20641727 0.71 KCNQ2 (0.57) KCNQ2KCNQ3KCNQ4KCNQ5ASPH
SCHEMBL24246362 0.71 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5ASPH

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.

Send feedback