SCHEMBL3544112

SCHEMBL3544112

O=[N+]([O-])c1cnc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 5/20 0.52
HTT P42858 2/20 0.52
SLC6A9 P48067 1/20 0.52
MAPT P10636 6/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL29818534 0.87 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2C9MAPK1HTT
SCHEMBL25193455 0.87 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2C9MAPK1HTT
SCHEMBL4675601 0.84 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL3363772 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL31143058 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1HTTMAPTPOLB
SCHEMBL2145143 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL899829 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2MAPK1HTTCYP2C19
SCHEMBL16466785 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
Hydrochloric Acid SCHEMBL23612041 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2MAPK1HTTCYP2C19
SCHEMBL23166289 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9HPGDMAPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
CN-101163694-A Imidaz0l0-5-yl-2-anil0-pyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB ASTRAZENECA UK (SE) 2008-04-16 CN disclosed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
EP-1869016-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2007141502-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141538-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 WO disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (5 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ALDH1A1 314/4885CYP1A2 334/4885CYP2C9 251/4885
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA ALDH1A1 466/4885CYP1A2 2623/4885CYP2C9 1804/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ALDH1A1 303/4885CYP1A2 353/4885CYP2C9 285/4885
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY DGAT1, ACAT1, DGAT2 ALDH1A1 347/4885CYP1A2 545/4885CYP2C9 733/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 ALDH1A1 292/4885CYP1A2 272/4885CYP2C9 513/4885

“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.