SCHEMBL22896789

SCHEMBL22896789

NC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1nsnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 12/20 0.46
▸ CTSK P43235 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTPRA P18433 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL22897222 0.95 CAPN1 (0.44) CAPN1CTSKCTSS
SCHEMBL22896610 0.93 CAPN1 (0.41) CAPN1CTSKCTSSRAB9ANPC1
SCHEMBL22896644 0.92 CAPN1 (0.43) CAPN1CTSKCTSSKMT2A
SCHEMBL22896241 0.91 CAPN1 (0.43) CAPN1CTSKCTSS
SCHEMBL22896936 0.87 CAPN1 (0.40) CAPN1CTSKCTSS
SCHEMBL20028431 0.86 CAPN1 (0.53) CAPN1CTSS
SCHEMBL21854063 0.86 CAPN1 (0.53) CAPN1CTSS
SCHEMBL22896318 0.85 CAPN1 (0.48) CAPN1CTSS
SCHEMBL21854216 0.84 CAPN1 (0.52) CAPN1CTSS
SCHEMBL21854095 0.83 CAPN1 (0.54) 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 CAPN1 3/4885CTSK 174/4885CTSS 210/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885CTSK 307/4885CTSS 199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CTSK 174/4885CTSS 210/4885

“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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