SCHEMBL29721925

SCHEMBL29721925

Nc1c([N+](=O)[O-])cc(F)c(NCc2ncc(C(F)(F)F)cc2F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.52
▸ KCNQ2 O43526 2/20 0.52
▸ KCNQ4 P56696 2/20 0.52
▸ KCNQ5 Q9NR82 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ GAA P10253 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL21501793 1.00 KCNQ3 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL29722128 0.84 KCNQ3 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL21501790 0.84 KCNQ3 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL29721786 0.80 ALDH1A1 (0.42) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL21501789 0.80 ALDH1A1 (0.42) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL21501794 0.78 KCNQ3 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL21496306 0.77 KCNQ2 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL15348083 0.72 HTT (0.46) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL21501814 0.72 KCNQ2 (0.80) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL29721511 0.72 KCNQ2 (0.80) KCNQ3KCNQ2KCNQ4KCNQ5MAPT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 KCNQ3 43/4885KCNQ2 35/4885KCNQ4 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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