SCHEMBL1733368

SCHEMBL1733368

Cc1c(OCCCCCO)ccnc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.68
RAB9A P51151 3/20 0.68
NPC1 O15118 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP3A4 P08684 1/20 0.68
KMT2A Q03164 5/20 0.54
LMNA P02545 5/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 3/20 0.54
AR P10275 5/20 0.53
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
DDAH1 O94760 1/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
IDE P14735 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL1734210 1.00 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734391 1.00 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1733417 1.00 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734261 1.00 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1733381 1.00 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL600640 0.96 CYP2C9 (0.71) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL599742 0.93 CYP2C9 (0.72) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL2986536 0.91 RAB9A (0.70) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL2992805 0.91 RAB9A (0.70) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL2990296 0.91 RAB9A (0.70) CYP2C9RAB9ANPC1CYP1A2CYP2D6

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
EP-2003130-B1 NOVEL PYRIDINE DERIVATIVE HAVING ANTI-HELICOBACTER PYLORI ACTIVITY ARIGEN PHARMACEUTICALS INC (JP) 2011-11-16 EP claimed
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 claimed
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
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 CYP2C9 1787/4885RAB9A 1519/4885NPC1 4576/4885

“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.