SCHEMBL21501798

SCHEMBL21501798

Nc1c(F)c(NCc2ccc(C(F)(F)F)cc2F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ KCNQ3 O43525 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ KCNQ4 P56696 2/20 0.37
▸ KCNQ5 Q9NR82 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ARNT P27540 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ VNN1 O95497 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KIF11 P52732 1/20 0.33

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
SCHEMBL29721756 1.00 IDO1 (0.39) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL29721786 0.84 ALDH1A1 (0.42) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501789 0.84 ALDH1A1 (0.42) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501801 0.84 ARNT (0.39) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL29721721 0.84 ARNT (0.39) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21496314 0.78 KCNQ2 (0.48) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501788 0.77 GAA (0.42) IDO1KCNQ3KCNQ2ALDH1A1MEN1
SCHEMBL29721701 0.77 GAA (0.42) IDO1KCNQ3KCNQ2ALDH1A1MEN1
SCHEMBL23701891 0.72 KCNQ2 (0.59) IDO1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501772 0.72 KCNQ2 (0.70) IDO1KCNQ3KCNQ2KCNQ4KCNQ5

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 5 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-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
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 IDO1 3596/4885KCNQ3 43/4885KCNQ2 35/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 IDO1 3596/4885KCNQ3 43/4885KCNQ2 35/4885

“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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