SCHEMBL6372385

SCHEMBL6372385

COc1c(N2CCC(CO)C(O)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PRKD3 O94806 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP1 P11387 2/20 0.38

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
SCHEMBL6376794 0.94 KCNH2 (0.44) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6490336 0.89 KCNH2 (0.52) KCNH2TOP1
SCHEMBL6376722 0.89 KCNH2 (0.44) KCNH2
SCHEMBL6367988 0.86 KCNH2 (0.42) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6498976 0.86 KCNH2 (0.51) KCNH2TOP1
SCHEMBL1381208 0.85 TOP1 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6492803 0.84 KCNH2 (0.51) KCNH2TOP1
SCHEMBL14160482 0.84 KCNH2 (0.51) KCNH2TOP1
SCHEMBL1384477 0.84 KCNH2 (0.59) KCNH2TOP1
Hydrochloric Acid SCHEMBL4503671 0.84 TOP1 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1

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
US-20050096278-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US disclosed
WO-2005026145-A2 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-20050096278-A1 Antibacterial agents MRPL21, FBL, SDHA KCNH2 2194/4885POLB 519/4885KDM4E 3873/4885

“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.