SCHEMBL21854056

SCHEMBL21854056

Cc1cccc(-c2ccc(-n3nc(C)cc3C(=O)N[C@@H](Cc3ccccc3)C(=O)C(N)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 13/20 0.49
F10 P00742 2/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
POLB P06746 1/20 0.44
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL20027818 1.00 CAPN1 (0.49) CAPN1F10F2PRSS1PRSS2
SCHEMBL20028561 0.94 CAPN1 (0.54) CAPN1F10F2PRSS1PRSS2
SCHEMBL21854059 0.94 CAPN1 (0.54) CAPN1F10F2PRSS1PRSS2
SCHEMBL20027651 0.94 CAPN1 (0.50) CAPN1F10F2PRSS1PRSS2
SCHEMBL20027745 0.94 CAPN1 (0.50) CAPN1F10F2PRSS1PRSS2
SCHEMBL20027957 0.94 CAPN1 (0.52) CAPN1F10F2PRSS1PRSS2
SCHEMBL21854211 0.91 CAPN1 (0.49) CAPN1F10F2PRSS1PRSS2
SCHEMBL20027829 0.91 CAPN1 (0.49) CAPN1F10F2PRSS1PRSS2
SCHEMBL21854108 0.91 CAPN1 (0.52) CAPN1F10F2PRSS1PRSS2
SCHEMBL20027684 0.91 CAPN1 (0.52) CAPN1F10F2PRSS1PRSS2

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 3/4885F10 4552/4885F2 4865/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CAPN1 3/4885F10 4552/4885F2 4865/4885

“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.