SCHEMBL3542256

SCHEMBL3542256

CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.70
MAPT P10636 4/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 6/20 0.56
THRB P10828 1/20 0.56
SLC6A5 Q9Y345 2/20 0.56
RAB9A P51151 1/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADAM10 O14672 1/20 0.53
ERBB2 P04626 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC6A9 P48067 1/20 0.51

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
SCHEMBL27927170 0.92 ALDH1A1 (0.59) LMNAMAPTALDH1A1THRBSLC6A5
SCHEMBL6599002 0.89 ALDH1A1 (0.56) LMNAMAPTGAAALDH1A1THRB
SCHEMBL6599004 0.89 ALDH1A1 (0.56) LMNAMAPTGAAALDH1A1THRB
SCHEMBL3547962 0.86 ALDH1A1 (0.74) LMNAMAPTGAAALDH1A1HPGD
SCHEMBL6840537 0.85 ALDH1A1 (0.53) LMNAMAPTALDH1A1THRBSLC6A5
SCHEMBL30957484 0.85 LMNA (0.69) LMNAMAPTGAAALDH1A1THRB
SCHEMBL3553731 0.85 LMNA (0.69) LMNAMAPTGAAALDH1A1THRB
SCHEMBL7049102 0.84 GAA (0.60) LMNAMAPTGAAALDH1A1THRB
SCHEMBL1810972 0.83 ALDH1A1 (0.70) LMNAMAPTALDH1A1THRBSLC6A5
SCHEMBL1846736 0.83 TDP1 (0.71) LMNAMAPTGAAALDH1A1SLC6A5

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 22 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-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
CN-1938295-A Imidazol-5-yl-anilinopyrimidines as cell proliferation inhibitors ASTRAZENECA AB (SE) 2007-03-28 CN disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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 (6 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 LMNA 3296/4885MAPT 2115/4885GAA 171/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI LMNA 988/4885MAPT 3632/4885GAA 64/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 LMNA 3477/4885MAPT 1986/4885GAA 163/4885
US-20100160397-A1 OXAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY DGAT1, ACAT1, DGAT2 LMNA 3790/4885MAPT 2472/4885GAA 244/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 LMNA 2990/4885MAPT 4713/4885GAA 3412/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 LMNA 3179/4885MAPT 2561/4885GAA 87/4885

“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.