SCHEMBL2435528

SCHEMBL2435528

CCCOc1cccc2c(=O)c(-c3cccc(-c4ccc(C)cc4)c3)c[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADRB3 P13945 1/20 0.39
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CLEC4M Q9H2X3 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2A6 P11509 1/20 0.34
KIT P10721 2/20 0.34
MAPT P10636 2/20 0.34
PDE5A O76074 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN11 Q06124 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
SCHEMBL2430177 0.84 CNR1 (0.40) CNR1CNR2ADRB3DYRK1AALDH1A1
SCHEMBL2429943 0.83 DYRK1A (0.45) CNR1CNR2DYRK1AALDH1A1KDM4E
SCHEMBL2429759 0.81 CYP3A4 (0.50) CNR1CNR2DYRK1AALDH1A1KDM4E
SCHEMBL2432181 0.81 HPGD (0.43) CNR1CNR2ADRB3DYRK1AALDH1A1
SCHEMBL2465957 0.80 IMPDH2 (0.44) CNR1CNR2ADRB3DYRK1AALDH1A1
SCHEMBL2433772 0.79 BRD4 (0.47) CNR1CNR2DYRK1AALDH1A1KDM4E
SCHEMBL2429806 0.77 PDE5A (0.44) CNR1CNR2ALDH1A1KDM4EHPGD
SCHEMBL2434684 0.77 CNR1 (0.42) CNR1CNR2ADRB3DYRK1AALDH1A1
SCHEMBL2429913 0.77 NR3C1 (0.48) CNR1CNR2ADRB3DYRK1AALDH1A1
SCHEMBL2431938 0.77 CNR1 (0.42) CNR1CNR2ADRB3DYRK1AALDH1A1

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 CNR1 404/4885CNR2 972/4885ADRB3 278/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CNR1 404/4885CNR2 972/4885ADRB3 278/4885

“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.