SCHEMBL2581757

SCHEMBL2581757

CCCOc1cc2c(cc1C(C)=NO)OCCC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
POLB P06746 1/20 0.33
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
CYSLTR1 Q9Y271 4/20 0.32
CYSLTR2 Q9NS75 3/20 0.32
TBXAS1 P24557 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CA9 Q16790 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL2581753 1.00 CTNNB1 (0.34) CTNNB1WNT3APOLBLTB4RLTB4R2
SCHEMBL2575763 0.96 LTB4R (0.35) CTNNB1WNT3APOLBLTB4RLTB4R2
SCHEMBL2575766 0.96 LTB4R (0.35) CTNNB1WNT3APOLBLTB4RLTB4R2
SCHEMBL2578381 0.93 HTR2C (0.35) POLBLTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL2578379 0.93 HTR2C (0.35) POLBLTB4RLTB4R2CYSLTR1CYSLTR2
SCHEMBL27825218 0.87 CTNNB1 (0.34) CTNNB1WNT3ALTB4RLTB4R2CYSLTR1
SCHEMBL2464126 0.86 HPGD (0.35) KMT2AMEN1CA9
SCHEMBL2464128 0.86 HPGD (0.35) KMT2AMEN1CA9
SCHEMBL7912438 0.85 CTNNB1 (0.35) CTNNB1WNT3ALTB4RLTB4R2CYSLTR1
SCHEMBL27825239 0.83 CTNNB1 (0.34) CTNNB1WNT3ALTB4RLTB4R2CYSLTR1

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 8 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
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 CTNNB1 1198/4885WNT3A 1422/4885POLB 2469/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CTNNB1 1198/4885WNT3A 1422/4885POLB 2469/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CTNNB1 1198/4885WNT3A 1422/4885POLB 2469/4885

“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.