SCHEMBL21501789

SCHEMBL21501789

Nc1c([N+](=O)[O-])cc(F)c(NCc2ccc(C(F)(F)F)cc2F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNQ4 P56696 1/20 0.41
▸ KCNQ5 Q9NR82 1/20 0.41
▸ IDO1 P14902 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ MAPT P10636 7/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TDO2 P48775 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH3A1 P30838 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
SCHEMBL29721786 1.00 ALDH1A1 (0.42) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21501788 0.84 GAA (0.42) ALDH1A1KCNQ3KCNQ2IDO1GAA
SCHEMBL21501798 0.84 IDO1 (0.39) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL29721756 0.84 IDO1 (0.39) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL29721701 0.84 GAA (0.42) ALDH1A1KCNQ3KCNQ2IDO1GAA
SCHEMBL21501793 0.80 KCNQ3 (0.52) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL29721925 0.80 KCNQ3 (0.52) ALDH1A1KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL29721721 0.77 ARNT (0.39) KCNQ3KCNQ2KCNQ4KCNQ5IDO1
SCHEMBL21501801 0.77 ARNT (0.39) KCNQ3KCNQ2KCNQ4KCNQ5IDO1
SCHEMBL23701891 0.76 KCNQ2 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5IDO1

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 ALDH1A1 2028/4885KCNQ3 43/4885KCNQ2 35/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 ALDH1A1 2028/4885KCNQ3 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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