SCHEMBL6480925

SCHEMBL6480925

Cc1c(N2CCC(C(O)O)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.83
ALDH1A1 P00352 4/20 0.60
POLB P06746 2/20 0.60
OPRM1 P35372 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
OPRD1 P41143 1/20 0.60
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
PRKD3 O94806 1/20 0.56
ALOX15 P16050 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TOP2A P11388 3/20 0.51
TOP2B Q02880 3/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL6370807 0.94 KCNH2 (0.77) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6479781 0.88 KCNH2 (0.77) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6372766 0.88 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6473943 0.88 KCNH2 (0.84) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL8708714 0.87 KCNH2 (0.75) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6372104 0.87 KCNH2 (0.72) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6372491 0.87 KCNH2 (0.72) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6372882 0.87 KCNH2 (0.72) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9023327 0.87 ALDH1A1 (0.79) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9047082 0.87 ALDH1A1 (0.79) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US claimed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (1 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-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 KCNH2 2108/4885ALDH1A1 873/4885POLB 303/4885

“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.