SCHEMBL4471447

SCHEMBL4471447

CC(c1ccccc1)c1cccc2ncc(C(=O)O)c(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ASPH Q12797 2/20 0.37
KDM8 Q8N371 2/20 0.37
RIOX2 Q8IUF8 1/20 0.37
TYR P14679 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DHODH Q02127 1/20 0.34
LDHA P00338 2/20 0.34
LDHB P07195 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL312797 0.75 ALDH1A1 (0.50) KDM4ETYRALDH1A1TDP1GAA
SCHEMBL9691086 0.75 KDM4E (0.42) KDM4EALDH1A1KMT2AHPGDALOX15
SCHEMBL1858272 0.74 ALDH1A1 (0.49) KDM4ETYRALDH1A1TDP1GAA
SCHEMBL584940 0.73 ALDH1A1 (0.55) KDM4ETYRKDM4CALDH1A1TDP1
SCHEMBL5888693 0.73 ALDH1A1 (0.49) KDM4ETYRALDH1A1TDP1GAA
SCHEMBL7712356 0.73 ALDH1A1 (0.55) KDM4EALDH1A1KMT2AHPGDALOX15
SCHEMBL9655344 0.71 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AHPGDALOX15
SCHEMBL11109818 0.71 TYR (0.44) KDM4ETYRALDH1A1TDP1GAA
SCHEMBL9690100 0.70 XDH (0.37) KDM4EALDH1A1KMT2AHPGDALOX15
SCHEMBL4471451 0.69 DHFR (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US claimed
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone UCL BUSINESS PLC (GB) 2018-10-02 US disclosed
EP-3145914-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL Business PLC (GB) 2017-03-29 EP disclosed
US-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2017-03-09 US disclosed
WO-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 WO disclosed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed
WO-2006117660-A2 METHOD FOR TREATING CANCER, CORONARY, INFLAMMATORY AND MACULAR DISEASE, COMBINING THE MODULATION OF ZINC- AND/OR COPPER DEPENDENT PROTEINS CLIO PHARMACEUTICAL CORPORATION (US) 2006-11-09 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 (2 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-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE CBR3, AGTR1, CBR1 KDM4E 4288/4885ASPH 2621/4885KDM8 3073/4885
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone AGTR1, CBR3, CBR1 KDM4E 4318/4885ASPH 2820/4885KDM8 2995/4885

“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.