SCHEMBL22896983

SCHEMBL22896983

NC(=O)C(=O)C(Cc1coc2ccccc12)NC(=O)c1scnc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 11/20 0.42
▸ PSMB8 P28062 8/20 0.42
▸ CAPN1 P07384 6/20 0.41
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22896661 0.85 CAPN1 (0.43) CAPN1
SCHEMBL22896996 0.84 PSMB5 (0.42) PSMB5PSMB8CAPN1
SCHEMBL22896551 0.84 CAPN1 (0.45) PSMB5PSMB8CAPN1
SCHEMBL22896757 0.84 PSMB5 (0.44) PSMB5PSMB8CAPN1
SCHEMBL22896567 0.83 PSMB5 (0.42) PSMB5PSMB8CAPN1
SCHEMBL22897069 0.83 CAPN1 (0.45) PSMB5PSMB8CAPN1
SCHEMBL22896976 0.83 PSMB5 (0.43) PSMB5PSMB8CAPN1
SCHEMBL22896855 0.82 PSMB5 (0.42) PSMB5PSMB8CAPN1
SCHEMBL22897053 0.82 CAPN1 (0.45) CAPN1
SCHEMBL21854115 0.82 CAPN1 (0.56) CAPN1

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
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PSMB5 421/4885PSMB8 338/4885CAPN1 3/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 PSMB5 119/4885PSMB8 120/4885CAPN1 4/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PSMB5 421/4885PSMB8 338/4885CAPN1 3/4885

“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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