SCHEMBL26313841

SCHEMBL26313841

C#CCN/C(=C/C(=O)OCC)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
PTPN1 P18031 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL25414444 1.00 KCNQ3 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL3102966 0.79 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL3102969 0.79 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL18704424 0.77 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL10276146 0.74 NPC1 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL838555 0.73 CA12 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL933903 0.72 ALDH1A1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL933904 0.72 ALDH1A1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL3590552 0.69 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5GAA
SCHEMBL3590555 0.69 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5GAA

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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-21 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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF TRPA1, DDT, HPD KCNQ3 955/4885KCNQ2 520/4885KCNQ4 753/4885

“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.