SCHEMBL2431938

SCHEMBL2431938

CCCOc1cccc2c(=O)c(-c3c(F)c(F)c(F)c(F)c3F)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
CYP2A6 P11509 1/20 0.39
ADRB3 P13945 1/20 0.38
PDE5A O76074 6/20 0.37
CLEC4M Q9H2X3 1/20 0.36
HTR6 P50406 1/20 0.36
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DYRK1A Q13627 2/20 0.34
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
MEN1 O00255 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
SCHEMBL2434684 0.85 CNR1 (0.42) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2426769 0.85 CNR1 (0.39) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2429913 0.82 NR3C1 (0.48) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2429806 0.82 PDE5A (0.44) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2430059 0.82 ADRB3 (0.41) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2434470 0.81 CNR1 (0.42) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2465056 0.81 KDM4E (0.47) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2465957 0.81 IMPDH2 (0.44) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2428424 0.81 ALDH1A1 (0.46) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2432181 0.80 HPGD (0.43) CNR1CNR2KDM4EALDH1A1HPGD

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 972/4885KDM4E 2556/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CNR1 404/4885CNR2 972/4885KDM4E 2556/4885

“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.