SCHEMBL2429913

SCHEMBL2429913

CCCOc1cccc2c(=O)c(-c3ccccc3OC)c[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
NR3C2 P08235 1/20 0.48
AR P10275 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
HTR7 P34969 1/20 0.42
PDE5A O76074 5/20 0.41
HTR2A P28223 1/20 0.41
DYRK1A Q13627 2/20 0.41
NFATC1 O95644 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2428424 0.90 ALDH1A1 (0.46) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL2429806 0.88 PDE5A (0.44) ALDH1A1HPGDKDM4ECNR2CNR1
SCHEMBL2428415 0.87 ADORA3 (0.44) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL2434710 0.87 KDM4E (0.44) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL2434470 0.86 CNR1 (0.42) ALDH1A1HPGDKDM4ECNR2CNR1
SCHEMBL2432838 0.85 HTR7 (0.42) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL2433772 0.85 BRD4 (0.47) ALDH1A1HPGDKDM4ECNR2CNR1
SCHEMBL2429943 0.85 DYRK1A (0.45) NR3C1ALDH1A1HPGDKDM4ECNR2
SCHEMBL2432181 0.84 HPGD (0.43) ALDH1A1HPGDKDM4ECNR2CNR1
SCHEMBL2465056 0.83 KDM4E (0.47) ARALDH1A1HPGDKDM4ECNR2

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 9 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
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
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 NR3C1 698/4885PGR 2535/4885NR3C2 543/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 NR3C1 698/4885PGR 2535/4885NR3C2 543/4885

“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.