SCHEMBL21538417

SCHEMBL21538417

CC[C@@H]([C@@H](C)O)n1ccn(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ TP53 P04637 1/20 0.50
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ POLB P06746 2/20 0.41
▸ THRB P10828 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL20644471 0.88 SMN1; SMN2 (0.36) MAPTTP53PRMT5WDR77THRB
SCHEMBL25160271 0.85 MAPT (0.48) MAPTTP53POLBHTTLMNA
SCHEMBL25160177 0.82 TLR7 (0.32) MAPTTP53PRMT5WDR77
SCHEMBL25160112 0.78 RGS4 (0.34) MAPTPOLBNPC1HTTLMNA
SCHEMBL20644385 0.74 PRMT5 (0.38) PRMT5WDR77
SCHEMBL20644462 0.71 — —
SCHEMBL25160444 0.68 PTGS2 (0.35) ALDH1A1GAA
SCHEMBL25160909 0.68 PTGS2 (0.35) ALDH1A1GAA
SCHEMBL14600369 0.67 KMT2A (0.45) MAPTTP53HTTMEN1KMT2A
SCHEMBL20644502 0.66 MGLL (0.37) MAPTPOLBNPC1LMNAMEN1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885TP53 2109/4885PRMT5 1075/4885

“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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