SCHEMBL2462829

SCHEMBL2462829

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(C(=O)O)n(C)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.44
GRIA4 P48058 5/20 0.44
CHRM1 P11229 1/20 0.43
EDNRB P24530 3/20 0.41
PTGS2 P35354 2/20 0.40
FFAR1 O14842 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
PPARD Q03181 1/20 0.37
KLK7 P49862 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2489539 0.78 CHRM1 (0.37) GRIA2GRIA4CHRM1EDNRBPTGS2
SCHEMBL2461285 0.77 PTGS2 (0.40) CHRM1EDNRBPTGS2KDM4EALDH1A1
SCHEMBL1135918 0.76 CHRM1 (0.40) CHRM1KDM4EALDH1A1KMT2AMAOB
SCHEMBL2458294 0.76 CHRM1 (0.43) CHRM1PTGS2FFAR1KDM4EALDH1A1
SCHEMBL2581807 0.76 CHRM1 (0.45) CHRM1PTGS2FFAR1PPARDMAOB
SCHEMBL3663892 0.76 CHRM1 (0.39) CHRM1KDM4EALDH1A1KMT2AMAOB
SCHEMBL2488207 0.75 CHRM1 (0.41) CHRM1PTGS2FFAR1KDM4EPPARD
SCHEMBL2463173 0.75 CHRM1 (0.42) CHRM1PTGS2FFAR1KDM4EALDH1A1
SCHEMBL3663890 0.75 CHRM1 (0.39) CHRM1KDM4EALDH1A1KMT2AMAOB
SCHEMBL15472265 0.75 CHRM1 (0.43) CHRM1PTGS2KDM4EALDH1A1KMT2A

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 9 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
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP 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 GRIA2 535/4885GRIA4 179/4885CHRM1 170/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 GRIA2 535/4885GRIA4 179/4885CHRM1 170/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 GRIA2 535/4885GRIA4 179/4885CHRM1 170/4885

“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.