SCHEMBL12175993

SCHEMBL12175993

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(C(=O)NCCN3CCN(C)CC3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
PIK3CD O00329 1/20 0.36
DRD4 P21917 2/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
DRD2 P14416 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL12175914 0.92 CD274 (0.47) POLBCD274KDM5BCYP1A2CYP3A4
SCHEMBL2588809 0.87 ACR (0.39) MMP13TLR8TLR7TP53HPGD
SCHEMBL12175984 0.86 CNR2 (0.36) MMP13TP53SMN1; SMN2KDM4E
SCHEMBL2492433 0.82 ALDH1A1 (0.39) PIK3CDTLR7ALDH1A1TP53HPGD
SCHEMBL2462830 0.82 PTGS2 (0.38) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2461285 0.81 PTGS2 (0.40) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2531189 0.79 CHKA (0.44) POLBPIK3CDTLR7ALDH1A1HPGD
SCHEMBL2492562 0.77 ALDH1A1 (0.39) POLBCD274KDM5BCYP1A2MAPT
SCHEMBL1136167 0.75 MAOB (0.39)
SCHEMBL12160578 0.75 GYS1 (0.39) DRD2ALDH1A1HPGDHSD17B10KDM4E

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 6 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-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 POLB 2469/4885CD274 1730/4885KDM5B 1920/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 POLB 2469/4885CD274 1730/4885KDM5B 1920/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 POLB 2469/4885CD274 1730/4885KDM5B 1920/4885

“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.