SCHEMBL6370780

SCHEMBL6370780

COc1c(N2CCC(C(O)CCO)CC2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6371300 0.93 KCNH2 (0.43) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6377884 0.89 KCNH2 (0.45) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6370722 0.88 KCNH2 (0.44) KCNH2
SCHEMBL7093474 0.85 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6370746 0.84 KCNH2 (0.43) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6672406 0.84 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6669998 0.84 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6370029 0.83 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6667965 0.83 KCNH2 (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6377126 0.83 KCNH2 (0.34) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096278-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US claimed
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
US-20050096278-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 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-20050096278-A1 Antibacterial agents MRPL21, FBL, SDHA KCNH2 2194/4885KDM4E 3873/4885ALDH1A1 1200/4885

“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.