SCHEMBL29437967

SCHEMBL29437967

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
ACACB O00763 3/20 0.39
AAK1 Q2M2I8 2/20 0.39
AR P10275 2/20 0.39
XDH P47989 1/20 0.38
F11 P03951 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13720827 1.00 LTA4H (0.39) LTA4HACACBAAK1ARXDH
SCHEMBL21980944 1.00 LTA4H (0.39) LTA4HACACBAAK1ARXDH
SCHEMBL12595084 0.91 AAK1 (0.45) LTA4HAAK1ARF11MAPT
SCHEMBL13720859 0.91 AAK1 (0.45) LTA4HAAK1ARF11MAPT
SCHEMBL17188987 0.91 XIAP (0.42) LTA4HACACBARXDHF11
SCHEMBL29437963 0.88 AAK1 (0.40) LTA4HAAK1ARF11MAPT
SCHEMBL13721733 0.88 AAK1 (0.40) LTA4HAAK1ARF11MAPT
SCHEMBL12594174 0.87 AAK1 (0.42) LTA4HAAK1ARF11MAPT
SCHEMBL20568095 0.87 AAK1 (0.42) LTA4HAAK1ARF11MAPT
SCHEMBL29437974 0.87 AAK1 (0.42) LTA4HAAK1ARF11MAPT

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 LTA4H 1839/4885ACACB 3979/4885AAK1 1766/4885
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 LTA4H 1839/4885ACACB 3979/4885AAK1 1766/4885

“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.