SCHEMBL20644525

SCHEMBL20644525

CC[C@@H]([C@@H](C)OP(=O)(O)O)n1ncn(-c2ccc(C(C)C)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DGAT1 O75907 5/20 0.41
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ROCK2 O75116 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ABCB11 O95342 1/20 0.33

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
SCHEMBL20644391 0.90 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20644511 0.85 MAPT (0.33) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20644554 0.83 NPBWR1 (0.33) MAPTALDH1A1SMN1; SMN2HTTPPARG
SCHEMBL20644496 0.82 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20652848 0.82 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20644697 0.78 KDM4E (0.30) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20644382 0.78 MAPT (0.33) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20644567 0.77 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20652820 0.77 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL20644455 0.77 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNAKDM4E

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 2507/4885ALDH1A1 289/4885SMN1; SMN2 1142/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885ALDH1A1 289/4885SMN1; 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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