SCHEMBL6479415

SCHEMBL6479415

O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(N3CC(CCO)C(CCO)C3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.55
POLB P06746 3/20 0.55
HSD17B10 Q99714 2/20 0.55
OPRM1 P35372 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRD1 P41143 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6481000 0.89 KCNH2 (0.70) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL965162 0.85 KDM4E (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL965164 0.85 KDM4E (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6481008 0.84 KCNH2 (0.66) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL500298 0.84 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL500297 0.84 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7813566 0.83 ALDH1A1 (0.73) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7810777 0.83 KDM4E (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6372074 0.83 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6372068 0.83 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDPOLB

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 2 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
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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 (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 2108/4885KDM4E 4453/4885ALDH1A1 873/4885

“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.