SCHEMBL29721701

SCHEMBL29721701

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ TDO2 P48775 4/20 0.40
▸ IDO1 P14902 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL21501788 1.00 GAA (0.42) GAAKCNQ3KCNQ2MAPTKMT2A
SCHEMBL21501789 0.84 ALDH1A1 (0.42) GAAKCNQ3KCNQ2MAPTKMT2A
SCHEMBL21501801 0.84 ARNT (0.39) GAAKCNQ3KCNQ2MAPTNPC1
SCHEMBL29721721 0.84 ARNT (0.39) GAAKCNQ3KCNQ2MAPTNPC1
SCHEMBL29721786 0.84 ALDH1A1 (0.42) GAAKCNQ3KCNQ2MAPTKMT2A
SCHEMBL20134036 0.83 KCNQ2 (0.58) GAAKCNQ3KCNQ2MAPTKMT2A
SCHEMBL29721739 0.83 KCNQ2 (0.58) GAAKCNQ3KCNQ2MAPTKMT2A
SCHEMBL29721814 0.82 AURKA (0.46) KCNQ3KCNQ2MAPTKMT2AMEN1
SCHEMBL20129863 0.82 AURKA (0.46) KCNQ3KCNQ2MAPTKMT2AMEN1
SCHEMBL21496383 0.82 IDO1 (0.44) GAAKCNQ3KCNQ2MAPTKMT2A

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 GAA 4792/4885KCNQ3 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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