SCHEMBL22896995

SCHEMBL22896995

NC(=O)C(=O)C(CCc1ccccc1)NC(=O)c1scnc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 15/20 0.46
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ CES1 P23141 1/20 0.38

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
SCHEMBL21854115 0.90 CAPN1 (0.56) CAPN1CTSS
SCHEMBL20027676 0.90 CAPN1 (0.56) CAPN1CTSS
SCHEMBL22897296 0.89 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22896106 0.84 CAPN1 (0.50) CAPN1CTSS
SCHEMBL22897053 0.84 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22896753 0.83 CAPN1 (0.50) CAPN1CTSS
SCHEMBL22897035 0.82 CAPN1 (0.50) CAPN1CTSS
SCHEMBL22896540 0.82 CAPN1 (0.44) CAPN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL22896741 0.82 CAPN1 (0.46) CAPN1CTSS
SCHEMBL22895966 0.81 CAPN1 (0.46) CAPN1CTSSCES1

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 3/4885NPC1 2197/4885ALDH1A1 4193/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885NPC1 1945/4885ALDH1A1 4421/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885NPC1 2197/4885ALDH1A1 4193/4885

“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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