SCHEMBL23799182

SCHEMBL23799182

NC(=O)CCNC(=O)c1cnco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
ITK Q08881 2/20 0.37
F2R P25116 1/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACACB O00763 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
PKM P14618 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
PLAT P00750 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL5199877 0.80 POLB (0.53) HRH3F2RCHRNA4CHRNB2CHRNB4
SCHEMBL16027956 0.77
SCHEMBL17725298 0.76 ACACB (0.43) HRH3F2RCHRNA4CHRNB2CHRNB4
SCHEMBL23800755 0.75 ITK (0.36) ITKF2RCHRNA4CHRNB2CHRNB4
SCHEMBL7876851 0.73 ACACB (0.40) HRH3F2RCHRNA4CHRNB2CHRNB4
SCHEMBL11777365 0.72 SMN1; SMN2 (0.50) ALDH1A1LMNAL3MBTL1SMN1; SMN2PKM
SCHEMBL23801253 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1SMN1; SMN2PKMMEN1
SCHEMBL25060914 0.71
SCHEMBL2413529 0.70
Hydrochloric Acid SCHEMBL29974433 0.69 CHRNA4 (0.41) F2RCHRNA4CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277061-A1 YEATS INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (HK) 2021-09-09 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 (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-20210277061-A1 YEATS INHIBITORS AND METHODS OF USE THEREOF YEATS2, YEATS4, MLLT1 HRH3 2759/4885CHEK1 960/4885CHEK2 1697/4885

“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.