SCHEMBL5838522

SCHEMBL5838522

[CH2]c1c(C)cccc1NC(=O)OC(C)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 1/20 0.38
UTS2R Q9UKP6 1/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.35
ANPEP P15144 1/20 0.35
LMNA P02545 1/20 0.34
DDX3X O00571 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9687046 0.87 KDM4E (0.48) NLRP3NPC1RAB9AHTTUTS2R
SCHEMBL5839856 0.83 HPGD (0.49) NLRP3NPC1RAB9AHTTKMT2A
SCHEMBL9686207 0.76 ALDH1A1 (0.59) NLRP3NPC1RAB9AHTTKMT2A
SCHEMBL9685813 0.75 LCK (0.45) NLRP3NPC1RAB9AHPGDALDH1A1
SCHEMBL9686605 0.73 ALDH1A1 (0.66) NPC1RAB9AKMT2AHPGDALDH1A1
SCHEMBL9685670 0.72 POLB (0.54) NPC1RAB9AHTTKMT2AHPGD
SCHEMBL9687318 0.70 NPC1 (0.76) NLRP3NPC1RAB9AHPGDALDH1A1
SCHEMBL11798134 0.70 NPC1 (0.58) NPC1RAB9AUTS2RHPGDALDH1A1
SCHEMBL9686399 0.70 ALDH1A1 (0.60) NPC1RAB9AHPGDALDH1A1L3MBTL1
SCHEMBL9685750 0.70 NPC1 (0.53) NPC1RAB9AHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141567-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2006-11-28 US disclosed
US-20060035892-A1 Nitrosated imidazopyridines ATLANTA PHARMA AG (DE) 2006-02-16 US disclosed
US-6869949-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2005-03-22 US disclosed
EP-1504003-A1 NITROSATED IMIDAZOPYRIDINES ALTANA Pharma AG (DE) 2005-02-09 EP disclosed
US-20040214852-A1 Polysubstituted imidazopyridines ALTANA PHARMA AG (DE) 2004-10-28 US disclosed
US-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2004-06-03 US disclosed
WO-2003091253-A1 NITROSATED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 EP disclosed
US-6384048-B1 GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-07 US disclosed
WO-2002034749-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2002-05-02 WO disclosed
EP-1127059-A1 IMIDAZONAPHTHYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-08-29 EP disclosed
WO-2000026217-A1 IMIDAZONAPHTHYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-05-11 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 (3 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-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS GIPR, SLC10A2, VIP NLRP3 4576/4885NPC1 1576/4885RAB9A 1893/4885
US-20060035892-A1 Nitrosated imidazopyridines NOS2, NOS1, NOS3 NLRP3 998/4885NPC1 3177/4885RAB9A 2105/4885
US-20040214852-A1 Polysubstituted imidazopyridines GIPR, VIP, SLC10A2 NLRP3 4712/4885NPC1 1702/4885RAB9A 2241/4885

“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.