SCHEMBL4723016

SCHEMBL4723016

COc1ccc(Br)cc1CC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MC4R P32245 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL5658221 0.90 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16293655 0.87 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29002583 0.87 PYCR1 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL154368 0.85 HSD17B10 (0.68) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6307470 0.85 CYP3A4 (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5125622 0.83 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL137400 0.83 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1032357 0.81 HSD17B10 (0.73) MEN1KMT2ASMN1; SMN2HSD17B10HTT
SCHEMBL3659915 0.81 HSD17B10 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL7887703 0.81 MAPK8 (0.56) KDM4EALDH1A1HSD17B10GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
EP-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
US-6930107-B2 6-azauracil derivatives as thyroid receptor ligands PFIZER INC. (US) 2005-08-16 US disclosed
EP-1088819-B1 6-azauracil derivatives as thyroid receptor ligands PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
US-6787652-B1 LOWERING LIPIDS AND SERUM CHOLESTEROL WITHOUT GENERATING ADVERSE CARDIAC EFFECTS; 4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZINE DERIVATIVES PFIZER, INC. 2004-09-07 US disclosed
US-20040157844-A1 6-azauracil derivatives as thyroid receptor ligands DOW ROBERT L (US) 2004-08-12 US disclosed
EP-1088819-A2 6-azauracil derivatives as thyroid receptor ligands Pfizer Products Inc. (US) 2001-04-04 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 (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-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 KDM4E 3212/4885ALDH1A1 647/4885MEN1 3366/4885
US-20040157844-A1 6-azauracil derivatives as thyroid receptor ligands TSHR, THRA, THRB KDM4E 2519/4885ALDH1A1 291/4885MEN1 1028/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A KDM4E 3541/4885ALDH1A1 370/4885MEN1 997/4885

“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.