SCHEMBL3584611

SCHEMBL3584611

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N(C#N)c2cccc3cccnc23)C[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
KDM1A O60341 2/20 0.32
RET P07949 5/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL4039798 1.00 KDM4E (0.36) KDM4EL3MBTL1POLBALDH1A1HPGD
SCHEMBL3577441 0.86 ALDH1A1 (0.35) KDM4EL3MBTL1POLBALDH1A1HPGD
SCHEMBL3586182 0.78 MAPT (0.39) KDM4EL3MBTL1POLBALDH1A1HPGD
SCHEMBL5636179 0.75 KDM4D (0.33) KDM4EALDH1A1HPGDMAOBMAOA
SCHEMBL5260297 0.75 KDM4D (0.33) KDM4EALDH1A1HPGDMAOBMAOA
SCHEMBL3571183 0.74 MAPT (0.43) KDM4EL3MBTL1POLBALDH1A1HPGD
SCHEMBL3581122 0.72 PLAU (0.43) MAPTMAOBKDM1ARET
SCHEMBL3581119 0.72 PLAU (0.43) MAPTMAOBKDM1ARET
SCHEMBL3577434 0.68 PLAU (0.44) ALDH1A1MAOBKDM1A
SCHEMBL3577439 0.68 PLAU (0.44) ALDH1A1MAOBKDM1A

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-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA KDM4E 3723/4885L3MBTL1 797/4885POLB 1252/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KDM4E 4273/4885L3MBTL1 495/4885POLB 1370/4885

“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.