SCHEMBL21189483

SCHEMBL21189483

CN(C)C(=O)Sc1ccc(Cl)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ACHE P22303 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.33
TERT O14746 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
RHEB Q15382 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11333864 0.84 ALDH1A1 (0.50) ALDH1A1ACHEL3MBTL1LMNAMAOB
SCHEMBL11338921 0.84 ALDH1A1 (0.50) ALDH1A1ACHEAPEX1HTTHPGD
SCHEMBL17964126 0.80 ALDH1A1 (0.47) ALDH1A1ACHEHTTLMNAMAOB
SCHEMBL395733 0.78 ALDH1A1 (0.48) ALDH1A1ACHEMAPTKMT2AL3MBTL1
SCHEMBL22829873 0.78 ALDH1A1 (0.44) ALDH1A1HTTHPGDMAPTKMT2A
SCHEMBL11081600 0.77 ALDH1A1 (0.47) ALDH1A1ACHEAPEX1HPGDMAPT
SCHEMBL22829871 0.76 ALDH1A1 (0.43) ALDH1A1ACHEMAPTKDM4EMAOB
SCHEMBL30014656 0.76 ALDH1A1 (0.43) ALDH1A1ACHEMAPTKDM4EMAOB
SCHEMBL20244667 0.75 ALDH1A1 (0.53) ALDH1A1ACHEHTTHPGDMAPT
SCHEMBL4922498 0.75 ALDH1A1 (0.41) ALDH1A1ACHEHPGDKMT2AMEN1

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-10988502-B2 Alpha-D-galactoside inhibitors of galectins GALECTO BIOTECH AB (DK) 2021-04-27 US disclosed
US-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2019-07-25 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-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS2, LGALS3 ALDH1A1 561/4885ACHE 1879/4885APEX1 1027/4885
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS2, LGALS3 ALDH1A1 561/4885ACHE 1879/4885APEX1 1027/4885

“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.