SCHEMBL20644502

SCHEMBL20644502

CC[C@@H]([C@@H](C)O)n1ccn(-c2ccc(C(C)C)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25160112 0.87 RGS4 (0.34) LMNAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL20644514 0.82 ACACB (0.32) LMNASMN1; SMN2
SCHEMBL20639954 0.80 MAPT (0.41) LMNAL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL20644587 0.79 MGLL (0.46) MGLLLMNAPOLBRECQLALKBH5
SCHEMBL20644471 0.78 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL20652848 0.76 MAPT (0.50) MGLLLMNAPOLBRECQLALKBH5
SCHEMBL20644496 0.76 MAPT (0.50) MGLLLMNAPOLBRECQLALKBH5
SCHEMBL20639905 0.74 MAPT (0.37) LMNASMN1; SMN2ALDH1A1MAPTPTGS2
SCHEMBL20644462 0.72 — —
SCHEMBL20644385 0.72 PRMT5 (0.38) —

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 MGLL 658/4885LMNA 4266/4885POLB 1777/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MGLL 658/4885LMNA 4266/4885POLB 1777/4885

“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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