SCHEMBL2549544

SCHEMBL2549544

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(COC(=O)c3ccc(OP(=O)(O)O)cc3)c12.[Na].[Na]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
NLRP3 Q96P20 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CLK1 P49759 1/20 0.34
RAB9A P51151 1/20 0.34
GRM7 Q14831 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
BRD4 O60885 1/20 0.32
BCL9 O00512 1/20 0.31
CTNNB1 P35222 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SYK P43405 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2460971 0.99 CHRM1 (0.36) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL2549541 0.98 CHRM1 (0.36) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL2548972 0.92 CHRM1 (0.36) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL2461073 0.90 SMN1; SMN2 (0.39) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL7910627 0.89 CHRM1 (0.34) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL2460970 0.89 CHRM1 (0.38) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL15472261 0.89 CHRM1 (0.41) CHRM1PDE4DCLK1RAB9APTGDR2
SCHEMBL17956169 0.88 CHRM1 (0.33) CHRM1NLRP3PDE4DSMN1; SMN2CLK1
SCHEMBL2462784 0.86 CHRM1 (0.34) CHRM1NLRP3PDE4DCLK1RAB9A
SCHEMBL2463965 0.85 CHRM1 (0.39) CHRM1SMN1; SMN2RAB9AGAA

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 10 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
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 CHRM1 170/4885NLRP3 256/4885PDE4D 530/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CHRM1 170/4885NLRP3 256/4885PDE4D 530/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CHRM1 170/4885NLRP3 256/4885PDE4D 530/4885

“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.