SCHEMBL1302941

SCHEMBL1302941

CCCCC(Br)C(=O)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
CYP2D6 P10635 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
GSK3B P49841 1/20 0.47
SLC2A1 P11166 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL4932919 0.90 SLC6A2 (0.57) ALDH1A1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL3684866 0.86 ALDH1A1 (0.53) ALDH1A1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL2097664 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL28750304 0.82 MMP2 (0.43) ALDH1A1HDAC3HDAC1HDAC2SLC2A1
SCHEMBL27527322 0.82 HSD17B3 (0.51) ALDH1A1CYP1A2SLC6A2SLC6A3CYP2D6
SCHEMBL10467094 0.81 MMP2 (0.48) ALDH1A1HTTHDAC3HDAC1HDAC2
SCHEMBL648332 0.80 CES2 (0.47) ALDH1A1SLC6A2SLC6A3HTTMMP9
SCHEMBL5193603 0.79 GSK3B (0.53) ALDH1A1CYP1A2KMT2ATAS1R3TAS1R1
SCHEMBL541916 0.79 CES2 (0.54) ALDH1A1CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL514175 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2KMT2AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP 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 (1 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-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF CETP, PLTP, MTTP ALDH1A1 2114/4885CYP1A2 603/4885SLC6A2 2708/4885

“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.