SCHEMBL20644666

SCHEMBL20644666

CC[C@@H]([C@@H](C)O)N1CN(c2ccc(C)cc2)C=N1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30593301 0.83 KDM4E (0.43) MAPT
SCHEMBL25160236 0.74
SCHEMBL30602861 0.68 MAPT (0.50) MAPT
SCHEMBL21845861 0.65 KDM4E (0.37) MAPT
SCHEMBL20652846 0.63 MAPT (0.51) SLC5A1SLC5A2MAPT
SCHEMBL25160033 0.63 MAPT (0.51) SLC5A1SLC5A2MAPT
SCHEMBL23709213 0.63 MAPT (0.51) SLC5A1SLC5A2MAPT
SCHEMBL12191943 0.63 MAPT (0.51) SLC5A1SLC5A2MAPT
SCHEMBL25160112 0.62 RGS4 (0.34) SLC5A1SLC5A2MAPT
SCHEMBL28115615 0.62 MAOB (0.47) MAPT

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOTUM 1126/4885SLC5A1 989/4885SLC5A2 925/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO NOTUM 1126/4885SLC5A1 989/4885SLC5A2 925/4885

“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.