SCHEMBL20644697

SCHEMBL20644697

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nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL20644391 0.79 MAPT (0.45) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20644525 0.78 MAPT (0.44) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20644554 0.77 NPBWR1 (0.33) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL20644382 0.76 MAPT (0.33) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20644511 0.75 MAPT (0.33) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20644386 0.74 — —
SCHEMBL20644373 0.74 — —
SCHEMBL20644460 0.74 CNR1 (0.32) —
SCHEMBL25160230 0.73 — —
SCHEMBL20644426 0.69 MAPT (0.33) KDM4EALDH1A1LMNAGAAMAPT

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 KDM4E 3322/4885ALDH1A1 289/4885LMNA 4266/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO KDM4E 3322/4885ALDH1A1 289/4885LMNA 4266/4885

“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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