SCHEMBL6325005

SCHEMBL6325005

O=C1OC(NCc2ccccc2)C(Cl)=C1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 3/20 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
CCKBR P32239 1/20 0.37
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
BACE1 P56817 3/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM1A O60341 3/20 0.37
MEN1 O00255 2/20 0.37
MAOA P21397 2/20 0.37

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 0.77 ALDH1A1 (0.46) MAPTKMT2AALDH1A1POLBLMNA
SCHEMBL6327889 0.73 SMN1; SMN2 (0.45) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL5428707 0.72 HPGD (0.48) KMT2AALDH1A1LMNAHTTHSD17B10
SCHEMBL6325001 0.69 ALDH1A1 (0.41) MAPTKMT2AALDH1A1POLBLMNA
SCHEMBL17987978 0.68 CCKBR (0.44) MAPTKMT2AALDH1A1POLBLMNA
SCHEMBL6153909 0.67 CCKBR (0.59) MAPTALDH1A1LMNACCKBRBCHE
Hydrochloric Acid SCHEMBL4854553 0.65 NAAA (0.45)
Hydrochloric Acid SCHEMBL4844494 0.65 NAAA (0.45)
SCHEMBL20863084 0.64 HRH2 (0.47) MAPTKMT2AALDH1A1ADH1BADH1C
SCHEMBL20528646 0.63 GRIN2B (0.56) KMT2ABCHEACHEBACE1KDM1A

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 MAPT 4622/4885KMT2A 902/4885ALDH1A1 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.