SCHEMBL4471456

SCHEMBL4471456

CCc1nc2ccccc2c(O)c1C(=O)O.c1cc2cc-2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.55
FABP4 P15090 1/20 0.55
FABP5 Q01469 1/20 0.55
DHODH Q02127 5/20 0.50
PDE10A Q9Y233 4/20 0.50
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL4992903 0.92 FABP3 (0.52) FABP3FABP4FABP5DHODHPDE10A
SCHEMBL15782876 0.81 KDM4E (0.49) FABP3FABP4FABP5DHODHPDE10A
SCHEMBL10432877 0.78 DHODH (0.51) DHODHPDE10ACYP2D6CYP2C19TSHR
SCHEMBL28983359 0.78 DHODH (0.51) FABP3FABP4FABP5DHODHPDE10A
SCHEMBL11075264 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL18285397 0.77 FABP3 (0.44) FABP3FABP4FABP5DHODHCYP2C19
SCHEMBL2566789 0.77 BID (0.46) DHODHPDE10ATSHRKDM4EALDH1A1
SCHEMBL14952438 0.76 BID (0.48) DHODHPDE10ATSHRKDM4EALDH1A1
SCHEMBL621336 0.76 HSD17B10 (0.56) FABP3FABP4FABP5PDE10ACYP2D6
SCHEMBL6293298 0.76 FABP3 (0.61) FABP3FABP4FABP5DHODHPDE10A

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 FABP3 45/4885FABP4 929/4885FABP5 1039/4885
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone AGTR1, CBR3, CBR1 FABP3 47/4885FABP4 989/4885FABP5 1050/4885

“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.