SCHEMBL2525103

SCHEMBL2525103

CN(Cc1ccc(Br)c(Cl)c1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
DGAT1 O75907 1/20 0.38
MAOB P27338 1/20 0.38
PYCR1 P32322 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.34
GSTO1 P78417 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL23357811 0.79 HRH3 (0.45) SLC6A2SLC6A4SLC6A3MAOBPYCR1
SCHEMBL2516047 0.76 PTPN1 (0.42) SLC6A2SLC6A4SLC6A3DGAT1MAOB
SCHEMBL10561423 0.76 APLNR (0.39) MAOBALDH1A1LMNAPOLBHPGD
SCHEMBL14297420 0.75 TSHR (0.50) MAOBPYCR1ALDH1A1KDM4ETSHR
SCHEMBL12480587 0.74 MAOB (0.45) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL2525088 0.74 ALDH1A1 (0.50) DGAT1MAOBMEN1KMT2AALDH1A1
SCHEMBL25587768 0.73 MEN1 (0.40) SLC6A2SLC6A4SLC6A3MAOBPYCR1
SCHEMBL23993134 0.72 SIGMAR1 (0.46) MAOBPYCR1MEN1KMT2AALDH1A1
SCHEMBL2523918 0.72 MAOB (0.41) SLC6A2SLC6A4SLC6A3MAOBMEN1
SCHEMBL2518907 0.72 KMT2A (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 WO disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 ACLY 949/4885DRD2 290/4885DRD1 220/4885

“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.