SCHEMBL24287516

SCHEMBL24287516

COc1cc(N(C)CCCO)ccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYBB P04839 6/20 0.53
NOX4 Q9NPH5 6/20 0.53
MAOB P27338 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
BACE1 P56817 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL24287567 0.92 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYBBNOX4MAOB
SCHEMBL21176727 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYBBNOX4MAOB
SCHEMBL11823994 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYBBNOX4MAOB
SCHEMBL13182636 0.78 ALDH1A1 (0.78) ALDH1A1L3MBTL1CYBBNOX4KDM4E
SCHEMBL25746980 0.77 CYBB (0.49) ALDH1A1L3MBTL1CYBBNOX4BACE1
SCHEMBL10010064 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYBBNOX4MAOB
SCHEMBL154497 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1CYBBNOX4MAOB
SCHEMBL10010274 0.75 CYBB (0.46) ALDH1A1L3MBTL1CYBBNOX4BACE1
SCHEMBL10010271 0.75 CYBB (0.46) ALDH1A1L3MBTL1CYBBNOX4BACE1
SCHEMBL10009803 0.74 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAOBKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF CELROS BIOTECH (KR) 2023-10-19 US disclosed
US-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF CELROS BIOTECH (KR) 2023-10-19 US disclosed
EP-4205740-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF Celros Biotech (KR) 2023-07-05 EP disclosed
CN-115989060-A Novel thiohydantoin derivatives and uses thereof 赛罗斯生物科技 2023-04-18 CN disclosed
WO-2022045836-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF (주)셀로스바이오텍 2022-03-03 WO 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-20230330067-A1 NOVEL THIOHYDANTOIN DERIVATIVES AND USES THEREOF NOX1, NOX4, NOX5 ALDH1A1 477/4885L3MBTL1 3480/4885CYBB 5/4885

“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.