SCHEMBL6468216

SCHEMBL6468216

Cc1nc(CNC(=O)OC(C)(C)C)no1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 4/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4A O75164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
BCHE P06276 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL24387803 0.87 HTT (0.51) CYP1A2HTTLMNATDP1NPSR1
SCHEMBL3564101 0.81 CYP1A2 (0.47) CYP1A2CYP2D6HTTKDM4ELMNA
SCHEMBL2575368 0.79 KDM4E (0.36) CYP1A2CYP2D6KDM4EGAAL3MBTL1
SCHEMBL4479053 0.78 CYP1A2 (0.54) CYP1A2CYP2D6HTTKDM4EKDM4A
SCHEMBL21423630 0.77 NPSR1 (0.42) CYP1A2HTTKDM4ELMNANPSR1
SCHEMBL13977598 0.77 KDM4E (0.49) CYP1A2HTTKDM4ELMNATDP1
SCHEMBL21702519 0.76 PLK1 (0.50) HTTLMNAL3MBTL1
SCHEMBL6467979 0.76 KCNJ1 (0.43) CYP1A2HTTKDM4ELMNATDP1
SCHEMBL25332917 0.75 ACE (0.45)
SCHEMBL31524222 0.75 CYP1A2 (0.39) CYP1A2HTTTDP1KMT2A

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
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 CYP1A2 4665/4885CYP2D6 4730/4885HTT 1020/4885

“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.