SCHEMBL1136191

SCHEMBL1136191

COc1ccc(-c2c[nH]c3c(OCC4CCC4)ccc(F)c3c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.38
KDR P35968 3/20 0.37
AXL P30530 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
BRD4 O60885 1/20 0.35
IDO1 P14902 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
FFAR1 O14842 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
SCHEMBL1136059 0.96 MET (0.40) METKDRAXLTDP1FFAR4
SCHEMBL2523334 0.86 PDE4A (0.41) METKDRTDP1BRD4IDO1
SCHEMBL1136023 0.86 GPR84 (0.41) TDP1BRD4
SCHEMBL2433373 0.85 TDP1 (0.38) METKDRAXLTDP1PARP15
SCHEMBL1136007 0.84 ADORA3 (0.40) METKDRAXLIDO1CDK2
SCHEMBL1135915 0.83 FFAR4 (0.40) METKDRAXLPARP15PARP10
SCHEMBL2493104 0.83 MET (0.41) METKDRAXLIDO1CDK2
SCHEMBL1136039 0.83 MET (0.39) METKDRAXLIDO1
SCHEMBL1136187 0.83 ALDH1A1 (0.42) METKDRAXLIDO1
SCHEMBL1136283 0.82 KDR (0.38) METKDRAXLIDO1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-10-20 US disclosed
US-9403773-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-02 US disclosed
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 US disclosed
US-9045464-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-02 US disclosed
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-01 US disclosed
US-8642619-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-13 US disclosed
US-8269011-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-18 US disclosed
EP-2152699-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP disclosed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (5 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-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MET 3987/4885KDR 3871/4885AXL 4492/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MET 3987/4885KDR 3871/4885AXL 4492/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MET 3987/4885KDR 3871/4885AXL 4492/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MET 3987/4885KDR 3871/4885AXL 4492/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MET 3987/4885KDR 3871/4885AXL 4492/4885

“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.