SCHEMBL21501801

SCHEMBL21501801

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ARNT P27540 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ IDO1 P14902 5/20 0.39
▸ KCNQ2 O43526 5/20 0.38
▸ KCNQ3 O43525 4/20 0.38
▸ TDO2 P48775 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KCNQ4 P56696 2/20 0.37
▸ KCNQ5 Q9NR82 2/20 0.37
▸ GAA P10253 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL29721721 1.00 ARNT (0.39) ARNTEPAS1IDO1KCNQ2KCNQ3
SCHEMBL21501788 0.84 GAA (0.42) EPAS1IDO1KCNQ2KCNQ3TDO2
SCHEMBL29721701 0.84 GAA (0.42) EPAS1IDO1KCNQ2KCNQ3TDO2
SCHEMBL21501798 0.84 IDO1 (0.39) ARNTEPAS1IDO1KCNQ2KCNQ3
SCHEMBL29721756 0.84 IDO1 (0.39) ARNTEPAS1IDO1KCNQ2KCNQ3
SCHEMBL21501794 0.80 KCNQ3 (0.46) ARNTEPAS1IDO1KCNQ2KCNQ3
SCHEMBL21501789 0.77 ALDH1A1 (0.42) IDO1KCNQ2KCNQ3TDO2KCNQ4
SCHEMBL29721786 0.77 ALDH1A1 (0.42) IDO1KCNQ2KCNQ3TDO2KCNQ4
SCHEMBL21496383 0.77 IDO1 (0.44) IDO1KCNQ2KCNQ3KDM4EKCNQ4
SCHEMBL21496317 0.76 KCNQ2 (0.47) IDO1KCNQ2KCNQ3KDM4EKCNQ4

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 ARNT 1000/4885EPAS1 2646/4885IDO1 3596/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 ARNT 1000/4885EPAS1 2646/4885IDO1 3596/4885

“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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