SCHEMBL22896641

SCHEMBL22896641

NC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1nsnc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 2/20 0.40
▸ CAPN1 P07384 17/20 0.39
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ IKBKE Q14164 1/20 0.32

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
SCHEMBL22897120 0.92 CAPN1 (0.44) CAPN1CTSS
SCHEMBL22896835 0.90 CAPN1 (0.41) CAPN1CTSS
SCHEMBL22896684 0.89 CAPN1 (0.46) CAPN1CDC7DBF4CTSS
SCHEMBL22896934 0.87 CAPN1 (0.39) TBK1CAPN1CTSS
SCHEMBL22896924 0.86 CAPN1 (0.42) CAPN1CTSS
SCHEMBL21854216 0.86 CAPN1 (0.52) CAPN1CTSS
SCHEMBL22896318 0.85 CAPN1 (0.48) CAPN1CTSS
SCHEMBL22897199 0.84 CAPN1 (0.40) TBK1CAPN1CDC7DBF4CTSS
SCHEMBL22896624 0.84 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22896788 0.83 CAPN1 (0.46) CAPN1CTSS

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 TBK1 1344/4885CAPN1 3/4885CDC7 2949/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 TBK1 841/4885CAPN1 4/4885CDC7 2461/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TBK1 1344/4885CAPN1 3/4885CDC7 2949/4885

“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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