SCHEMBL29437968

SCHEMBL29437968

C=C(C)c1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
GAA P10253 2/20 0.53
HSPB1 P04792 2/20 0.50
MAPT P10636 12/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 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
SCHEMBL9905716 1.00 L3MBTL1 (0.53) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL1979608 0.83 L3MBTL1 (0.58) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL17354619 0.82 AR (0.40) GAAPPARGKDM4ERAB9ANPC1
SCHEMBL13720426 0.81 L3MBTL1 (0.56) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL29437987 0.81 L3MBTL1 (0.59) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL12593964 0.81 L3MBTL1 (0.59) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL29437991 0.81 L3MBTL1 (0.58) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL1982917 0.81 L3MBTL1 (0.58) L3MBTL1GAAHSPB1MAPTNPSR1
SCHEMBL1978329 0.81 KDM4E (0.48) NPSR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL17354607 0.80 HSPB1 (0.50) L3MBTL1GAAHSPB1MAPTNPSR1

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 L3MBTL1 2799/4885GAA 3446/4885HSPB1 1810/4885
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 L3MBTL1 2799/4885GAA 3446/4885HSPB1 1810/4885

“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.