SCHEMBL22896596

SCHEMBL22896596

NC(=O)C(=O)C(Cc1ccccn1)NC(=O)c1oncc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.41
▸ CAPN1 P07384 12/20 0.40
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL22896552 0.90 CAPN1 (0.50) CAPN1CTSS
SCHEMBL22896800 0.88 CAPN1 (0.44) CAPN1CTSS
SCHEMBL22897017 0.86 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22896762 0.86 CAPN1 (0.40) TDO2CAPN1CTSSKMT2A
SCHEMBL22897049 0.86 CAPN1 (0.40) TDO2CAPN1CTSS
SCHEMBL22896550 0.85 CAPN1 (0.39) TDO2CAPN1CTSS
SCHEMBL22897055 0.85 CAPN1 (0.43) TDO2CAPN1CTSS
SCHEMBL22897060 0.85 CAPN1 (0.42) TDO2CAPN1CTSS
SCHEMBL22896608 0.85 CAPN1 (0.43) TDO2CAPN1CTSS
SCHEMBL22896466 0.84 CAPN1 (0.44) CAPN1CTSSCTSK

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 TDO2 4767/4885CAPN1 3/4885CTSS 210/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 TDO2 4606/4885CAPN1 4/4885CTSS 199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TDO2 4767/4885CAPN1 3/4885CTSS 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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