SCHEMBL21496315

SCHEMBL21496315

Nc1c(NC(=O)O)ccc(NCc2ccc(C(F)(F)F)cc2F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 7/20 0.54
▸ KCNQ3 O43525 6/20 0.54
▸ KCNQ4 P56696 3/20 0.50
▸ KCNQ5 Q9NR82 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ VNN1 O95497 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL29721503 0.87 KCNQ2 (0.74) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL21501808 0.87 KCNQ2 (0.74) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL21496317 0.86 KCNQ2 (0.47) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL23701891 0.86 KCNQ2 (0.59) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL21501771 0.83 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL29721764 0.83 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL17749067 0.83 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL21496383 0.83 IDO1 (0.44) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL17749139 0.81 KCNQ2 (0.57) KCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL21496314 0.81 KCNQ2 (0.48) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E

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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