SCHEMBL2432859

SCHEMBL2432859

CCOc1ccc(OCC)c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
IDO1 P14902 4/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
DYRK1A Q13627 1/20 0.39
SIRT5 Q9NXA8 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2430280 0.96 ADORA3 (0.42) ADORA3IDO1ALDH1A1KDM4ECYP3A4
SCHEMBL1136007 0.90 ADORA3 (0.40) ADORA3IDO1ALDH1A1KDM4ECYP3A4
SCHEMBL2431867 0.87 PDE4B (0.37) ADORA3IDO1
SCHEMBL2433158 0.86 ALDH1A1 (0.39) IDO1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2437576 0.86 MET (0.38) METKDRAXLTDP1PDGFRB
SCHEMBL2430302 0.85 ALDH1A1 (0.46) IDO1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2433750 0.83 XDH (0.41) IDO1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2432159 0.82 NPC1 (0.37) IDO1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2432114 0.82 NPC1 (0.37) IDO1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2432282 0.82 NPC1 (0.37) IDO1ALDH1A1KDM4ECYP3A4HSD17B10

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 ADORA3 941/4885IDO1 274/4885ALDH1A1 568/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ADORA3 941/4885IDO1 274/4885ALDH1A1 568/4885

“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.