SCHEMBL20644408

SCHEMBL20644408

CC[C@@H]([C@H](C)OC(=O)CN(C)C)n1ncn(-c2ccc(C(C)C)cn2)c1=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ ACACB O00763 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
SCHEMBL25160180 0.90 TDP1 (0.33) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644605 0.85 KDM4E (0.31) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644380 0.83 PRMT5 (0.30) BCHEACHE
SCHEMBL20644563 0.81 MAPT (0.37) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL25160279 0.81 MAPT (0.37) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644511 0.81 MAPT (0.33) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644386 0.78 — —
SCHEMBL20644580 0.73 LMNA (0.33) MAPTLMNAGAA
SCHEMBL20644382 0.70 MAPT (0.33) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL25160125 0.69 MAPT (0.37) MAPTKDM4EALDH1A1LMNAGAA

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 MAPT 2507/4885KDM4E 3322/4885ALDH1A1 289/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885ALDH1A1 289/4885

“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.

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