SCHEMBL2819924

SCHEMBL2819924

CC(C)(C)OC(=O)NCCCCCO.CC(C)(C)OC(=O)NCCCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
CA12 O43570 6/20 0.58
CA1 P00915 6/20 0.58
CA2 P00918 6/20 0.58
CA9 Q16790 6/20 0.58
ACHE P22303 6/20 0.50
EPHX1 P07099 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7525285 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL133020 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL598026 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL3422180 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL5133849 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL7908254 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL5193445 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL15508929 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL22777078 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA
SCHEMBL29040489 1.00 TDP1 (1.00) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (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-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 TDP1 4460/4885MAOA 152/4885MAOB 164/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 TDP1 4853/4885MAOA 656/4885MAOB 696/4885

“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.