SCHEMBL20644580

SCHEMBL20644580

CC[C@@H]([C@H](C)OC(=O)CN(C)C)n1ncn(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ P2RX3 P56373 8/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30
▸ NFE2L2 Q16236 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
SCHEMBL20644380 0.81 PRMT5 (0.30) —
SCHEMBL20644386 0.80 — —
SCHEMBL25160180 0.78 TDP1 (0.33) LMNAMAPTGAA
SCHEMBL20644408 0.73 MAPT (0.31) LMNAMAPTGAA
SCHEMBL20644554 0.72 NPBWR1 (0.33) MAPTMEN1KMT2ANPC1CACNA1H
SCHEMBL20644372 0.72 NPBWR1 (0.35) MAPTCACNA1HPPARA
SCHEMBL25160505 0.71 TP53 (0.44) LMNATP53MAPTMEN1KMT2A
SCHEMBL21538539 0.70 TDP1 (0.32) —
SCHEMBL25160115 0.65 TDP1 (0.31) P2RX3
SCHEMBL20644575 0.63 NPBWR1 (0.37) LMNAMAPTCACNA1HPPARA

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 LMNA 4266/4885TP53 2109/4885MAPT 2507/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO LMNA 4266/4885TP53 2109/4885MAPT 2507/4885

“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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