SCHEMBL3590696

SCHEMBL3590696

O=C1/C=C\C=C/Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.44
MAOA P21397 3/20 0.44
IDO1 P14902 3/20 0.44
MAOB P27338 2/20 0.44
PIN1 Q13526 2/20 0.44
AKT1 P31749 1/20 0.44
SNCA P37840 1/20 0.44
MAP2K1 Q02750 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
NSD1 Q96L73 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
PDGFRA P16234 1/20 0.36
FER P16591 1/20 0.36
LTK P29376 1/20 0.36
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
LRRK2 Q5S007 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPT P10636 6/20 0.33
MEN1 O00255 5/20 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
SCHEMBL18830778 0.76
SCHEMBL24798434 0.73 MAOA (0.43) CDC25BMAOAIDO1MAOBPIN1
SCHEMBL19774414 0.73 CDC25B (0.72) CDC25BMAOAIDO1MAOBPIN1
Naphthoquinone SCHEMBL27788134 0.71 IDO1 (0.78) CDC25BMAOAIDO1MAOBPIN1
Naphthoquinone SCHEMBL28769204 0.71 IDO1 (0.48) CDC25BMAOAIDO1MAOBPIN1
SCHEMBL168935 0.70 PDGFRA (0.52) MAOAMAOBPDGFRAFERLTK
SCHEMBL34259 0.70 GAA (0.48) MAPT
SCHEMBL2499343 0.69 NOS2 (0.33) ALDH1A1L3MBTL1
Naphthoquinone SCHEMBL27950218 0.68 CDC25B (0.64) CDC25BMAOAIDO1MAOBPIN1
SCHEMBL8654087 0.68 GAA (0.46) MAPT

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
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 CDC25B 3343/4885MAOA 4027/4885IDO1 4832/4885

“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.