SCHEMBL1304045

SCHEMBL1304045

O=C(Nc1nc(-c2ccc(F)cc2)c(Cc2ccc([N+](=O)[O-])cc2)s1)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLTP P55058 12/20 1.00
ABL1 P00519 1/20 0.49
SRC P12931 1/20 0.49
MAPT P10636 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.48
USP2 O75604 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 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
SCHEMBL1304571 0.93 PLTP (1.00) PLTPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1302024 0.92 PLTP (0.84) PLTPABL1SRCMAPTMEN1
SCHEMBL1302515 0.91 PLTP (1.00) PLTPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1303532 0.89 PLTP (0.80) PLTPABL1SRCMAPTMEN1
SCHEMBL1304278 0.89 PLTP (1.00) PLTPKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1302978 0.86 PLTP (0.76) PLTPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13892738 0.85 PLTP (0.82) PLTPKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1304406 0.85 PLTP (0.74) PLTPABL1SRCMAPTMEN1
SCHEMBL1304134 0.85 PLTP (0.74) PLTPABL1SRCMAPTMEN1
SCHEMBL27703175 0.82 PLTP (0.69) PLTPABL1SRCMAPTMEN1

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 21 patents — showing the first 20. 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 claimed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP claimed
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 claimed
CN-101096363-B 2,4,5-three-substituted thiazole compound, preparation method, medicament composition and pharmacy use thereof INST PHARM & TOXICOLOGY AMMS 2011-05-11 CN claimed
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 claimed
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 claimed
CN-101096363-A 2,4,5-three-substituted thiazole compound, preparation method, medicament composition and pharmacy use thereof POISON MED INST PLA MED ACAD (CN) 2008-01-02 CN claimed
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-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
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
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP disclosed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 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
CN-101096363-B 2,4,5-three-substituted thiazole compound, preparation method, medicament composition and pharmacy use thereof INST PHARM & TOXICOLOGY AMMS 2011-05-11 CN 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
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
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
CN-101096363-A 2,4,5-three-substituted thiazole compound, preparation method, medicament composition and pharmacy use thereof POISON MED INST PLA MED ACAD (CN) 2008-01-02 CN 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 PLTP 2/4885ABL1 1787/4885SRC 2911/4885

“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.