SCHEMBL5525568

SCHEMBL5525568

O=C(c1ccc(Br)cc1)C(Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSP90AA1 P07900 1/20 0.47
NTSR1 P30989 1/20 0.47
S1PR3 Q99500 1/20 0.46
AKR1C3 P42330 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1B1 Q16678 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL6201027 0.92 MEN1 (0.51) CES2CES1LMNAALDH1A1TDP1
SCHEMBL627867 0.88 CES2 (0.64) CES2CES1LMNAALDH1A1TDP1
SCHEMBL2976217 0.85 LMNA (0.57) CES2CES1LMNAALDH1A1TDP1
SCHEMBL627839 0.83 CES2 (0.53) CES2CES1LMNATDP1L3MBTL1
SCHEMBL5873117 0.83 LMNA (0.50) CES2CES1LMNAALDH1A1TDP1
SCHEMBL682581 0.83 CES2 (0.53) CES2CES1LMNAALDH1A1TDP1
SCHEMBL7855318 0.83 ALOX15 (0.48) CES2CES1LMNAALDH1A1TDP1
SCHEMBL13178294 0.83 GSK3B (0.60) CES2CES1LMNAALDH1A1TDP1
SCHEMBL5334151 0.81 KMT2A (0.53) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL5319603 0.81 KMT2A (0.53) CES2CES1ALDH1A1MEN1KMT2A

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
WO-2021114801-A1 IMIDAZOPYRIDINE-BASED ARYLAMINE COMPOUND AND USE THEREOF 广东阿格蕾雅光电材料有限公司 2021-06-17 WO disclosed
WO-2021103769-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE COMPOUND 广东阿格蕾雅光电材料有限公司 2021-06-03 WO disclosed
WO-2020228430-A1 IMIDAZO NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2020-11-19 WO disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides ASTRAZENECA A B (SE) 2006-06-29 US disclosed
US-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands ASTRAZENECA AB (SE) 2006-06-08 US disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
EP-1592403-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES AstraZeneca AB (SE) 2005-11-09 EP disclosed
EP-1581214-A1 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS Astrazeneca AB (SE) 2005-10-05 EP disclosed
WO-2004069226-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD CES2 1636/4885CES1 145/4885LMNA 1550/4885
US-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands CNR1, CNR2, NPY4R CES2 654/4885CES1 372/4885LMNA 4586/4885
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides CETP, LIPC, LIPA CES2 1060/4885CES1 48/4885LMNA 632/4885

“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.