SCHEMBL5909511

SCHEMBL5909511

O=C(NN1CCCCC1)c1nc(-c2cc3c(cc2Br)OCCO3)c(-c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.54
CNR2 P34972 7/20 0.54
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5909632 0.93 CNR1 (0.54) CNR1CNR2HTTSMN1; SMN2HPGD
SCHEMBL6187754 0.84 SMN1; SMN2 (0.37) CNR2HTTSMN1; SMN2HPGDMAPT
SCHEMBL5909597 0.79 CNR1 (0.57) CNR1CNR2HTTSMN1; SMN2HPGD
SCHEMBL5909583 0.77 DHODH (0.45) SMN1; SMN2HPGDMAPTPTGS2NPC1
SCHEMBL6187166 0.75 SMN1; SMN2 (0.39) CNR2HTTSMN1; SMN2HPGDMAPT
SCHEMBL5043843 0.71 CNR1 (0.89) CNR1CNR2
SCHEMBL5037401 0.71 CNR1 (0.61) CNR1CNR2SMN1; SMN2HPGDPTGS2
SCHEMBL5036931 0.71 CNR1 (0.89) CNR1CNR2
SCHEMBL5041587 0.70 CNR1 (1.00) CNR1CNR2
SCHEMBL675014 0.70 CNR1 (1.00) CNR1CNR2

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 6 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
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
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

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 1/4885CNR2 2/4885HTT 1272/4885
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides CETP, LIPC, LIPA CNR1 4668/4885CNR2 4688/4885HTT 338/4885

“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.