SCHEMBL29437974

SCHEMBL29437974

CC[C@@H](N)C(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.42
LTA4H P09960 1/20 0.41
AR P10275 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CIT O14578 1/20 0.38
PFKFB1 P16118 3/20 0.37
NSD2 O96028 2/20 0.37
AS3MT Q9HBK9 2/20 0.37
PFKFB2 O60825 2/20 0.37
PFKFB3 Q16875 2/20 0.37
F11 P03951 1/20 0.37
GFER P55789 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RET P07949 1/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 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
SCHEMBL20568095 1.00 AAK1 (0.42) AAK1LTA4HARMAPTALDH1A1
SCHEMBL12594174 1.00 AAK1 (0.42) AAK1LTA4HARMAPTALDH1A1
SCHEMBL17571132 0.90 XIAP (0.41) AAK1LTA4HARMAPTALDH1A1
SCHEMBL29437990 0.89 LTA4H (0.42) AAK1LTA4HARMAPTALDH1A1
SCHEMBL12594172 0.89 LTA4H (0.42) AAK1LTA4HARMAPTALDH1A1
SCHEMBL20567481 0.89 LTA4H (0.42) AAK1LTA4HARMAPTALDH1A1
SCHEMBL13720553 0.87 MAPT (0.37) AAK1LTA4HARMAPTALDH1A1
SCHEMBL21980944 0.87 LTA4H (0.39) AAK1LTA4HARMAPTALDH1A1
SCHEMBL13720827 0.87 LTA4H (0.39) AAK1LTA4HARMAPTALDH1A1
SCHEMBL29437967 0.87 LTA4H (0.39) AAK1LTA4HARMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2022-02-24 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 (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-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors KCNN3, KCND3, KCNA3 AAK1 1766/4885LTA4H 1839/4885AR 4850/4885
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 AAK1 1766/4885LTA4H 1839/4885AR 4850/4885

“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.