SCHEMBL6079327

SCHEMBL6079327

CC(C)(C)OC(=O)N1CCC(NCc2cc3c(cn2)OCCO3)C(C(N)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
MAPT P10636 5/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 2/20 0.40
USP30 Q70CQ3 2/20 0.39
PIK3CA P42336 2/20 0.39
LMNA P02545 1/20 0.39
TACR1 P25103 1/20 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
SCHEMBL10313867 0.85 USP30 (0.48) KCNH2USP30
SCHEMBL4149910 0.81 IDO1 (0.47) MAPTTP53THRBUSP30PIK3CA
SCHEMBL4140613 0.78 CYP2C9 (0.44)
SCHEMBL4436095 0.75 KCNH2 (0.52) KCNH2
SCHEMBL4143197 0.75 KCNH2 (0.52) KCNH2
SCHEMBL3229809 0.75 KCNH2 (0.52) KCNH2
SCHEMBL5746081 0.75 MAPT (0.42) KCNH2MAPTTP53THRBUSP30
SCHEMBL5747966 0.75 NAMPT (0.40) MAPTTP53THRBPIK3CALMNA
SCHEMBL6079335 0.74 KCNH2 (0.41) KCNH2
SCHEMBL6079826 0.73 KCNH2 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885MAPT 4448/4885TP53 2210/4885

“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.