SCHEMBL5038563

SCHEMBL5038563

O=C(c1ccc(Cl)cc1Cl)C(Br)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CYP3A4 P08684 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
SRD5A2 P31213 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
CASP3 P42574 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
SCHEMBL5041822 0.92 FLT1 (0.49) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1250577 0.90 SMN1; SMN2 (0.53) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL3377623 0.83 CES2 (0.47) TSHRSMN1; SMN2ALDH1A1HIF1AFLT1
SCHEMBL11408672 0.82 TSHR (0.59) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1922201 0.79 SMN1; SMN2 (0.55) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10361369 0.79 TSHR (0.55) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1921942 0.76 SMN1; SMN2 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL30173716 0.76 SMN1; SMN2 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5339310 0.76 CES2 (0.48) TSHRALDH1A1MAPK1MAPTKDM4E
SCHEMBL28549090 0.76 SMN1; SMN2 (0.61) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342032-B2 Thiazole derivatives having CB1-antagonistic, agonistic or partial agonistic activity SOLVAY PHARMACEUTICALS, INC. (NL) 2008-03-11 US 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-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
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-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
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 TSHR 73/4885CASP1 1170/4885SMN1; SMN2 3708/4885
US-20060122229-A1 4,5-diarylthiazole derivatives as cb-1 ligands CNR1, CNR2, NPY4R TSHR 335/4885CASP1 1692/4885SMN1; SMN2 1557/4885
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides CETP, LIPC, LIPA TSHR 1187/4885CASP1 1673/4885SMN1; SMN2 3197/4885

“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.