SCHEMBL6327889

SCHEMBL6327889

O=C1OC(NCc2ccccc2)C(Br)=C1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTGES O14684 1/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
KDM1A O60341 2/20 0.37
GRIN2B Q13224 1/20 0.37
MAOA P21397 1/20 0.37
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CTRB1 P17538 1/20 0.35

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
SCHEMBL28548849 0.73 ALDH1A1 (0.46) SMN1; SMN2HSD17B10ALDH1A1LMNAMAPT
SCHEMBL6325005 0.73 MAPT (0.44) HSD17B10ALDH1A1LMNAMAPTHTT
SCHEMBL20863084 0.64 HRH2 (0.47) ALDH1A1MAPTADH1BADH1CADH1A
SCHEMBL2473572 0.63 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL4846815 0.62 NAAA (0.46) FUCA1
SCHEMBL4846105 0.62 NAAA (0.46) FUCA1
SCHEMBL5079092 0.62
Hydrochloric Acid SCHEMBL4854553 0.61 NAAA (0.45) FUCA1
SCHEMBL11971687 0.61 FYN (0.41) ALDH1A1LMNAHTTKDM1AGRIN2B
SCHEMBL21518380 0.61 GRIN2B (0.38) HSD17B10ALDH1A1ADH1BADH1CADH1A

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 SMN1; SMN2 3078/4885HSD17B10 1336/4885ALDH1A1 161/4885

“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.