SCHEMBL4430376

SCHEMBL4430376

O=C(O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.65
CNR2 P34972 2/20 0.65
EIF4E P06730 1/20 0.47
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SRD5A2 P31213 1/20 0.46
MARS1 P56192 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL1250874 0.93 CNR1 (0.57) CNR1CNR2EIF4ECDC7DBF4
SCHEMBL5034224 0.92 CNR1 (0.57) CNR1CNR2EIF4ECDC7DBF4
SCHEMBL5043907 0.89 CNR1 (0.65) CNR1CNR2EIF4ECDC7DBF4
SCHEMBL5038585 0.88 CNR1 (0.64) CNR1CNR2CDC7DBF4CCNE1
SCHEMBL5036951 0.84 CNR1 (0.67) CNR1CNR2KDM4ENPC1RAB9A
SCHEMBL5909542 0.84 KDM4E (0.49) CNR1CNR2KDM4ENPC1RAB9A
SCHEMBL6190763 0.82 CNR1 (0.85) CNR1CNR2
SCHEMBL5034238 0.82 CDC7 (0.60) CNR1CNR2CDC7DBF4KDM4E
SCHEMBL5038528 0.81 CNR1 (0.61) CNR1CNR2
SCHEMBL5038462 0.80 CNR1 (0.60) CNR1CNR2CDC7DBF4CCNE1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands ASTRAZENECA AB (SE) 2006-06-08 US claimed
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
US-7342032-B2 Thiazole derivatives having CB1-antagonistic, agonistic or partial agonistic activity SOLVAY PHARMACEUTICALS, INC. (NL) 2008-03-11 US disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO 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
EP-1581214-A1 4,5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS Astrazeneca AB (SE) 2005-10-05 EP disclosed
EP-1492779-A1 THIAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC, AGONISTIC OR PARTIAL AGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2005-01-05 EP disclosed
US-20040266841-A1 Thiazole derivatives having cb1-antagonistic, agonistic or partial agonistic activity ABBVIE B.V. (NL) 2004-12-30 US disclosed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
WO-2003078413-A1 THIAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC, AGONISTIC OR PARTIAL AGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-09-25 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-20040266841-A1 Thiazole derivatives having cb1-antagonistic, agonistic or partial agonistic activity CNR1, CNR2, CCKAR CNR1 1/4885CNR2 2/4885EIF4E 3704/4885
US-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands CNR1, CNR2, NPY4R CNR1 1/4885CNR2 2/4885EIF4E 3935/4885
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 4688/4885EIF4E 3592/4885

“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.