SCHEMBL13560331

SCHEMBL13560331

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OCC(=O)O)cc3)cn(CC(=O)NCCN3CCOCC3)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
HBB P68871 1/20 0.40
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
ADORA2B P29275 1/20 0.37
AVPR1B P47901 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL2584608 0.94 POLB (0.40) POLBMAPK1HBBKDM4ERXFP1
SCHEMBL2590555 0.94 POLB (0.44) POLBMAPK1HBBKDM4ERXFP1
SCHEMBL12175922 0.93 KDM4E (0.40) POLBMAPK1HBBKDM4ERXFP1
SCHEMBL2461002 0.93 POLB (0.48) POLBMAPK1KDM4ERXFP1ALDH1A1
SCHEMBL2459123 0.91 KDM4E (0.42) POLBKDM4ERXFP1CD274ABL1
SCHEMBL17956172 0.90 KDM4E (0.39) POLBMAPK1HBBKDM4ERXFP1
SCHEMBL2578669 0.90 KDM4E (0.37) POLBMAPK1HBBKDM4ERXFP1
SCHEMBL2460946 0.89 POLB (0.43) POLBKDM4ERXFP1ALDH1A1GAA
SCHEMBL13560333 0.83 FKBP1A (0.35) POLBALDH1A1HPGDLMNA
SCHEMBL12175973 0.81 POLB (0.38) POLBKDM4EALDH1A1CD274KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364298-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2016-08-03 EP disclosed
US-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 US disclosed
US-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US 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-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 POLB 2469/4885MAPK1 846/4885HBB 3520/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 POLB 2469/4885MAPK1 846/4885HBB 3520/4885

“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.