SCHEMBL6325470

SCHEMBL6325470

O=C1OC(Oc2cccc(Br)c2)C(Cl)=C1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SOD1 P00441 1/20 0.35
MAOB P27338 5/20 0.35
RAB9A P51151 1/20 0.34
GRM4 Q14833 1/20 0.34
KMT2A Q03164 5/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL6323568 0.82 ACHE (0.41) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL6328326 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL6326740 0.80 NSD2 (0.37) KMT2AMAPTGAAHTTALDH1A1
SCHEMBL6323597 0.73 MAPT (0.39) MAOBRAB9AKMT2AMAPTHTT
SCHEMBL11171614 0.69 KMT2A (0.38) SLC6A2SLC6A4SLC6A3SOD1MAOB
SCHEMBL414388 0.66 KMT2A (0.35) KMT2AMAPTGAAHTTSMN1; SMN2
SCHEMBL1416985 0.64 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL29711702 0.64 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL18978437 0.64
SCHEMBL19384241 0.64 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005026141-A2 PROCESS FOR PREPARATION OF SUBSTITUTED BUTENOLIDES VIA PALLADIUM-FREE ETHERIFICATION AND AMINATION OF MASKED MUCOHALIC ACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
US-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids BLAZECKA PETER GARTH (CA) 2005-03-17 US claimed
WO-2005026141-A2 PROCESS FOR PREPARATION OF SUBSTITUTED BUTENOLIDES VIA PALLADIUM-FREE ETHERIFICATION AND AMINATION OF MASKED MUCOHALIC ACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids BLAZECKA PETER GARTH (CA) 2005-03-17 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-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids DBH, OR51E2, OR10J3 SLC6A2 2093/4885SLC6A4 2270/4885SLC6A3 697/4885

“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.