SCHEMBL2584544

SCHEMBL2584544

CCCCNCCCCc1[nH]c2c(OCCC)ccc(F)c2c(=O)c1-c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
MAOB P27338 1/20 0.33
SLC2A1 P11166 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
TSHR P16473 1/20 0.32
FPR1 P21462 2/20 0.32

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
SCHEMBL2584541 0.88 MTNR1A (0.39) MTNR1AMTNR1BCNR1
SCHEMBL2588854 0.86 MAOB (0.33) NEK1MTNR1AMTNR1BMAPK13MAPK12
SCHEMBL2581569 0.85 KDM4E (0.34) NEK1MTNR1AMTNR1BMAPK13MAPK12
SCHEMBL1136308 0.85 MAOB (0.39) MAPK13MAPK12MAPK11MAPK14MAOB
SCHEMBL2463127 0.85 PTGS2 (0.39) MTNR1AMTNR1BMAOB
SCHEMBL2492254 0.83 MAOB (0.37) MTNR1AMTNR1BMAPK13MAPK12MAPK11
SCHEMBL2585468 0.83 PDE3B (0.36) MTNR1AMTNR1BFPR1
SCHEMBL1136167 0.80 MAOB (0.39) MAPK13MAPK12MAPK11MAPK14MAOB
SCHEMBL2581501 0.80 ERN1 (0.38) MAPK13MAPK12MAPK11MAPK14MAOB
SCHEMBL2578823 0.78 MET (0.37) TSHR

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
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
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 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 (3 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 NEK1 2807/4885MTNR1A 43/4885MTNR1B 36/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 NEK1 2807/4885MTNR1A 43/4885MTNR1B 36/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 NEK1 2807/4885MTNR1A 43/4885MTNR1B 36/4885

“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.