SCHEMBL21854045

SCHEMBL21854045

Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)c(-c2ccncc2)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 19/20 0.54
DCAF1 Q9Y4B6 1/20 0.53
CTSS P25774 1/20 0.50

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
SCHEMBL20027500 1.00 CAPN1 (0.54) CAPN1DCAF1CTSS
SCHEMBL23268990 0.95 CAPN1 (0.59) CAPN1DCAF1CTSS
SCHEMBL20028632 0.95 CAPN1 (0.59) CAPN1DCAF1CTSS
SCHEMBL21854118 0.90 CAPN1 (0.56) CAPN1DCAF1CTSS
SCHEMBL20028608 0.90 CAPN1 (0.56) CAPN1DCAF1CTSS
SCHEMBL21854023 0.90 CAPN1 (0.54) CAPN1DCAF1CTSS
SCHEMBL20027496 0.90 CAPN1 (0.54) CAPN1DCAF1CTSS
SCHEMBL21854196 0.89 CAPN1 (0.59) CAPN1DCAF1CTSS
SCHEMBL21854217 0.89 CAPN1 (0.53) CAPN1DCAF1CTSS
SCHEMBL20027520 0.89 CAPN1 (0.59) CAPN1DCAF1CTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 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 (2 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885DCAF1 3091/4885CTSS 210/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885DCAF1 3091/4885CTSS 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.