SCHEMBL2489936

SCHEMBL2489936

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.37
PIN4 Q9Y237 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH2 P05091 3/20 0.35
CLK1 P49759 1/20 0.35
RAB9A P51151 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 4/20 0.33
EGFR P00533 1/20 0.33
AKR1B1 P15121 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
SCHEMBL2489540 0.91 RAB9A (0.45) PIN1PIN4NPSR1L3MBTL1MAPT
SCHEMBL12160563 0.91 NPSR1 (0.43) PIN1PIN4NPSR1L3MBTL1MAPT
SCHEMBL2581722 0.89 MGAM (0.34) ALDH2GAAMGAMSIMGAM2
SCHEMBL2461073 0.81 SMN1; SMN2 (0.39) NPSR1MAPTALDH1A1CLK1RAB9A
SCHEMBL2466272 0.81 TNF (0.44) ALDH2CLK1RAB9AMAOAMAOB
SCHEMBL2460915 0.81 MGAM (0.34) KDM4EALDH2GAAMGAMSI
SCHEMBL2581807 0.80 CHRM1 (0.45) CLK1RAB9AMAOB
SCHEMBL2588104 0.80 FFAR1 (0.40) L3MBTL1KDM4EMAOBLMNA
SCHEMBL27844048 0.80 MET (0.33) ALDH2MAOAMAOBGAAMGAM
SCHEMBL12160562 0.80 MEN1 (0.38) NPSR1L3MBTL1MAPTALDH1A1CLK1

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 14 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-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-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-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 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-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
CN-102239147-A Quinolone compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2011-11-09 CN disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP 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 PIN1 2861/4885PIN4 3548/4885NPSR1 272/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PIN1 2861/4885PIN4 3548/4885NPSR1 272/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PIN1 2861/4885PIN4 3548/4885NPSR1 272/4885

“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.