SCHEMBL2581569

SCHEMBL2581569

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(CNCCCO)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
IL6 P05231 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NEK1 Q96PY6 1/20 0.33
PTGS2 P35354 1/20 0.33
AVPR1B P47901 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
MGAM O43451 4/20 0.32
GAA P10253 4/20 0.32
SI P14410 4/20 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
SCHEMBL2588854 0.92 MAOB (0.33) KDM4EMTNR1AMTNR1BSMN1; SMN2MAOB
SCHEMBL2492254 0.86 MAOB (0.37) MTNR1AMTNR1BMAOBPTGS2MGAM
SCHEMBL2584544 0.85 NEK1 (0.34) MTNR1AMTNR1BMAOBNEK1MAPK13
SCHEMBL1136308 0.84 MAOB (0.39) MAOBPOLBPTGS2MGAMGAA
SCHEMBL2492562 0.83 ALDH1A1 (0.39) KDM4EKMT2AMEN1POLBMMP13
SCHEMBL2489056 0.82 MGAM (0.34) MAOBPTGS2MGAMGAASI
SCHEMBL2463127 0.81 PTGS2 (0.39) KDM4EMTNR1AMTNR1BKMT2AMEN1
SCHEMBL2584541 0.80 MTNR1A (0.39) KDM4EMTNR1AMTNR1BSMN1; SMN2
SCHEMBL2588809 0.80 ACR (0.39) KDM4EMTNR1AMTNR1BSMN1; SMN2KMT2A
SCHEMBL1136167 0.79 MAOB (0.39) MAOBPTGS2MGAMGAASI

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 KDM4E 2224/4885MTNR1A 43/4885MTNR1B 36/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KDM4E 2224/4885MTNR1A 43/4885MTNR1B 36/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KDM4E 2224/4885MTNR1A 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.