SCHEMBL13217469

SCHEMBL13217469

CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1C(=O)SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
PIK3CD O00329 3/20 0.38
ACHE P22303 1/20 0.38
PTPN11 Q06124 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
MAP4K4 O95819 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
GBA1 P04062 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL13201018 0.87 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL13217687 0.85 KCNH2 (0.45) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL13217147 0.85 KCNH2 (0.46) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL13217705 0.80 KCNH2 (0.44) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL13217486 0.80 KCNH2 (0.56) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL13217466 0.77 KCNH2 (0.47) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL13217902 0.76 KCNH2 (0.46) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL13217605 0.75 CKS1B (0.46) KCNH2CKS1BSKP1SKP2PIK3CD
SCHEMBL2965716 0.75 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2MAPT
SCHEMBL2965598 0.73 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2ACHE

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885CKS1B 103/4885SKP1 1478/4885

“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.