SCHEMBL5450740

SCHEMBL5450740

COc1c(N2CCC(C(CNC(C)=O)NCCC#N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.45
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TOP1 P11387 1/20 0.32

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
SCHEMBL5460131 0.91 KCNH2 (0.53) KCNH2
SCHEMBL14432075 0.87 KCNH2 (0.54) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL5464633 0.87 KCNH2 (0.54) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL5453110 0.87 KCNH2 (0.44) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL5455097 0.87 KCNH2 (0.39) KCNH2
SCHEMBL5454124 0.86 KCNH2 (0.41) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL5464620 0.86 KCNH2 (0.41) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL5462537 0.86 KCNH2 (0.41) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL5455435 0.83 KCNH2 (0.43) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL6507834 0.82 KCNH2 (0.66) KCNH2KDM4EALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US claimed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL KCNH2 2633/4885KDM4E 4500/4885ALDH1A1 637/4885

“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.