SCHEMBL2430387

SCHEMBL2430387

COc1ccc(-c2c[nH]c3c(Oc4ccccc4)cccc3c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
SCN9A Q15858 1/20 0.42
BRD4 O60885 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
NUAK1 O60285 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
AURKB Q96GD4 1/20 0.41
PDGFRB P09619 1/20 0.41
LTA4H P09960 1/20 0.41
DYRK1A Q13627 1/20 0.40
TNKS O95271 2/20 0.39
PARP1 P09874 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39

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
SCHEMBL7261286 0.89 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPLK4AURKA
SCHEMBL7260711 0.83 KDM4E (0.62) ALDH1A1KDM4EHPGDDYRK1ATNKS
SCHEMBL2432181 0.81 HPGD (0.43) ALDH1A1KDM4EHPGDPLK4AURKA
SCHEMBL7261295 0.76 CDK4 (0.60) ALDH1A1KDM4EHPGDPLK4AURKA
SCHEMBL2438245 0.76 MEN1 (0.39) ALDH1A1PLK4AURKANUAK1CDK4
SCHEMBL2429171 0.75 MEN1 (0.39) ALDH1A1PLK4AURKANUAK1CDK4
SCHEMBL2430131 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPLK4AURKA
SCHEMBL28860747 0.71 PARP1 (0.66) ALDH1A1KDM4EHPGDPLK4AURKA
SCHEMBL7256679 0.70 PLK4 (0.47) ALDH1A1KDM4EPLK4AURKANUAK1
SCHEMBL2430302 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EDYRK1ACYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ALDH1A1 568/4885KDM4E 2556/4885HPGD 140/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ALDH1A1 568/4885KDM4E 2556/4885HPGD 140/4885

“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.