SCHEMBL20644514

SCHEMBL20644514

CC[C@@H]([C@@H](C)O)n1ccn(-c2ccc(C(C)C)cn2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PANK3 Q9H999 1/20 0.31
▸ OGA O60502 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
SCHEMBL20644502 0.82 MGLL (0.37) LMNASMN1; SMN2
SCHEMBL20644563 0.81 MAPT (0.37) ACACBEGLN1LMNASMN1; SMN2
SCHEMBL25160279 0.81 MAPT (0.37) ACACBEGLN1LMNASMN1; SMN2
SCHEMBL20644385 0.78 PRMT5 (0.38) —
SCHEMBL25160112 0.72 RGS4 (0.34) LMNASMN1; SMN2
SCHEMBL20644471 0.72 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL20644462 0.69 — —
SCHEMBL20644439 0.67 PRMT5 (0.37) —
SCHEMBL25160128 0.67 PPARG (0.34) ACACBEGLN1LMNASMN1; SMN2
SCHEMBL25160125 0.67 MAPT (0.37) LMNASMN1; SMN2PANK3

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-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 ACACB 1141/4885EGLN1 3567/4885LMNA 4266/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO ACACB 1141/4885EGLN1 3567/4885LMNA 4266/4885

“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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