SCHEMBL7907760

SCHEMBL7907760

CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(COP(=O)(O)O)c13)OCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.34
TYMS P04818 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
RAB9A P51151 3/20 0.31
CLK1 P49759 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
NPC1 O15118 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
MDM4 O15151 1/20 0.30
MDM2 Q00987 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2578934 0.95 ABCB1 (0.33) ABCB1TYMSCNR1CNR2ESR1
SCHEMBL7917241 0.94 ABCB1 (0.33) ABCB1TYMSCNR1CNR2ESR1
SCHEMBL12160480 0.89 ABCB1 (0.31) ABCB1
SCHEMBL2584574 0.87 ABCB1 (0.32) ABCB1CNR1CNR2
SCHEMBL12160478 0.87 ESR1 (0.38) ABCB1CNR1CNR2ESR1ESR2
SCHEMBL7910534 0.86
SCHEMBL2575582 0.85 ABCB1 (0.33) ABCB1TYMSCNR1CNR2ESR1
SCHEMBL7912511 0.85 RAB9A (0.41) ABCB1CNR1CNR2ESR1ESR2
SCHEMBL2587899 0.85 ABCB1 (0.30) ABCB1
SCHEMBL2586745 0.84 ESR1 (0.36) ABCB1TYMSCNR1CNR2ESR1

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 13 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
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
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (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 (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 ABCB1 1404/4885TYMS 4776/4885CNR1 291/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 ABCB1 1404/4885TYMS 4776/4885CNR1 291/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 ABCB1 1404/4885TYMS 4776/4885CNR1 291/4885

“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.