SCHEMBL29437970

SCHEMBL29437970

N#Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.50
MAPT P10636 11/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 4/20 0.43
BLM P54132 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
RGS12 O14924 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
SCHEMBL9905726 1.00 HSPB1 (0.50) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL21980937 0.86 PTGDR2 (0.44) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL12595072 0.81 HSPB1 (0.54) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL1978699 0.81 HSPB1 (0.54) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL29438000 0.81 HSPB1 (0.54) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL1984177 0.80 PTGDR2 (0.44) ALDH1A1KDM4EPTGDR2MEN1KMT2A
SCHEMBL29438008 0.80 PTGDR2 (0.44) ALDH1A1KDM4EPTGDR2MEN1KMT2A
SCHEMBL13832481 0.80 PTGDR2 (0.44) PTGDR2ALOX5APFEN1SCN9A
SCHEMBL1982480 0.79 HSPB1 (0.54) HSPB1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL29437961 0.79 HSPB1 (0.51) HSPB1MAPTALDH1A1L3MBTL1KDM4E

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 HSPB1 1810/4885MAPT 3926/4885ALDH1A1 1966/4885
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 HSPB1 1810/4885MAPT 3926/4885ALDH1A1 1966/4885

“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.