SCHEMBL22886441

SCHEMBL22886441

Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnc3ccccc3n2)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 19/20 0.55
▸ CTSS P25774 1/20 0.47
▸ TACR3 P29371 1/20 0.46

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
SCHEMBL29962127 1.00 CAPN1 (0.55) CAPN1CTSSTACR3
SCHEMBL29961440 0.89 CAPN1 (0.54) CAPN1CTSS
SCHEMBL22886642 0.89 CAPN1 (0.54) CAPN1CTSS
SCHEMBL20028416 0.88 CAPN1 (0.56) CAPN1CTSSTACR3
SCHEMBL21854047 0.85 CAPN1 (0.56) CAPN1CTSS
SCHEMBL21854026 0.85 CAPN1 (0.53) CAPN1CTSS
SCHEMBL21854359 0.85 CAPN1 (0.57) CAPN1CTSS
SCHEMBL20027499 0.85 CAPN1 (0.57) CAPN1CTSS
SCHEMBL20027883 0.84 CAPN1 (0.52) CAPN1CTSS
SCHEMBL21854099 0.84 CAPN1 (0.52) 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
CN-112703188-A Method for treating liver fibrosis using calpain inhibitor 布莱德治疗公司 2021-04-23 — — CN disclosed
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — US disclosed
CN-112204014-A Calpain modulators and therapeutic uses thereof 布莱德治疗公司 2021-01-08 — — CN 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 (1 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CTSS 177/4885TACR3 4071/4885

“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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