SCHEMBL1733376

SCHEMBL1733376

Cc1c(OCCCCCCO)ccnc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
AOC3 Q16853 1/20 0.41
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 5/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
WDR5 P61964 2/20 0.38
KMT2A Q03164 2/20 0.38
DDAH1 O94760 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
IDE P14735 1/20 0.38
ADRA2B P18089 1/20 0.38
TBXA2R P21731 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
NPY1R P25929 1/20 0.38

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
SCHEMBL1733377 1.00 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1735592 1.00 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1735042 1.00 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1735527 1.00 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL1733364 1.00 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL6865773 0.98 LOX (0.41) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL8088378 0.93 ALDH1A1 (0.39) LOXAOC3TLR8ALDH1A1CYP2C9
SCHEMBL2991770 0.89 LMNA (0.40) TLR8ALDH1A1CYP2C9LMNAHPGD
SCHEMBL2994288 0.89 LMNA (0.40) TLR8ALDH1A1CYP2C9LMNAHPGD
SCHEMBL2982818 0.89 LMNA (0.40) TLR8ALDH1A1CYP2C9LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400670-B Novel pyridine derivative having anti-helicobacter pylori activity ARIGEN INC 2012-10-10 CN disclosed
EP-2003130-B1 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY ARIGEN PHARMACEUTICALS INC (JP) 2011-11-16 EP disclosed
WO-2011132683-A1 BIS-CARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 出光興産株式会社 (JP) 2011-10-27 WO disclosed
US-20090143438-A1 Novel Pyridine Derivative Having Anti-Helicobacter Pylori Activity ARIGEN PHARMACEUTICALS, INC. (JP) 2009-06-04 US disclosed
EP-2003130-A9 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY aRigen Pharmaceuticals, Inc. (JP) 2009-04-15 EP disclosed
CN-101400670-A Novel pyridine derivative having anti-helicobacter pylori activity ARIGEN INC (JP) 2009-04-01 CN disclosed
EP-2003130-A2 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY aRigen Pharmaceuticals, Inc. (JP) 2008-12-17 EP 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-20090143438-A1 Novel Pyridine Derivative Having Anti-Helicobacter Pylori Activity MALT1, BCL6, PGC LOX 2259/4885AOC3 3012/4885TLR8 1228/4885

“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.