SCHEMBL20644563

SCHEMBL20644563

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ DGAT1 O75907 1/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.33
▸ ABCB11 O95342 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ CYP8B1 Q9UNU6 1/20 0.32
▸ 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
SCHEMBL25160279 1.00 MAPT (0.37) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL25160125 0.87 MAPT (0.37) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20644511 0.84 MAPT (0.33) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20652848 0.83 MAPT (0.50) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20644496 0.83 MAPT (0.50) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20644408 0.81 MAPT (0.31) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20644605 0.81 KDM4E (0.31) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20644514 0.81 ACACB (0.32) LMNASMN1; SMN2EGLN1ACACB
SCHEMBL20644439 0.79 PRMT5 (0.37) DGAT1
SCHEMBL20644543 0.78 ABCB11 (0.35) MAPTLMNASMN1; SMN2KDM4EALDH1A1

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 MAPT 2507/4885LMNA 4266/4885SMN1; SMN2 1142/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885LMNA 4266/4885SMN1; SMN2 1142/4885

“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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