SCHEMBL5909554

SCHEMBL5909554

O=C(NC1CCCCC1)c1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
MAOB P27338 4/20 0.54
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
XIAP P98170 1/20 0.47
S1PR1 P21453 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOA P21397 1/20 0.45
GAA P10253 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL5909585 0.89 PTGS2 (0.47) CNR1MAOBALDH1A1LMNAHTT
SCHEMBL5909523 0.87 CNR1 (0.59) CNR1MAOBALDH1A1LMNAHTT
SCHEMBL5909566 0.83 CNR1 (0.60) CNR1MAOBTP53MDM2NPC1
SCHEMBL5909573 0.81 CNR1 (0.64) CNR1MAOBALDH1A1LMNATP53
SCHEMBL5909597 0.80 CNR1 (0.57) CNR1ALDH1A1LMNAHTTXIAP
SCHEMBL6176038 0.79 MAOB (0.51) CNR1MAOBALDH1A1LMNATP53
SCHEMBL27621009 0.79 XIAP (0.55) ALDH1A1HTTTP53XIAPMEN1
SCHEMBL5043652 0.78 CNR1 (0.50) CNR1MAOBS1PR1MEN1KMT2A
SCHEMBL12912625 0.76 MAOB (0.55) CNR1MAOBALDH1A1LMNAHTT
SCHEMBL15688763 0.75 PTGS2 (0.55) CNR1MAOBTP53MDM2NPC1

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-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 claimed
US-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands ASTRAZENECA AB (SE) 2006-06-08 US claimed
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 claimed
EP-1581214-A1 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS Astrazeneca AB (SE) 2005-10-05 EP claimed
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 claimed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 WO claimed
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
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 (2 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-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands CNR1, CNR2, NPY4R CNR1 1/4885MAOB 852/4885ALDH1A1 850/4885
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides CETP, LIPC, LIPA CNR1 4668/4885MAOB 2843/4885ALDH1A1 940/4885

“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.