SCHEMBL21854041

SCHEMBL21854041

Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CNCc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
CAPN1 P07384 13/20 0.49
KLKB1 P03952 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CTSS P25774 1/20 0.44

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
SCHEMBL20027971 1.00 MAPT (0.52) MAPTCAPN1KLKB1ALDH1A1CTSS
Hydrochloric Acid SCHEMBL30133648 0.99 MAPT (0.51) MAPTCAPN1KLKB1ALDH1A1CTSS
SCHEMBL22895833 0.94 MAPT (0.48) MAPTCAPN1KLKB1ALDH1A1CTSS
SCHEMBL21854383 0.93 MAPT (0.56) MAPTCAPN1KLKB1ALDH1A1CTSS
SCHEMBL21854380 0.93 MAPT (0.56) MAPTCAPN1KLKB1ALDH1A1CTSS
SCHEMBL21854234 0.93 CAPN1 (0.49) MAPTCAPN1KLKB1ALDH1A1CTSS
SCHEMBL21854232 0.93 CAPN1 (0.49) MAPTCAPN1KLKB1ALDH1A1CTSS
SCHEMBL23268997 0.92 CAPN1 (0.54) MAPTCAPN1ALDH1A1CTSS
SCHEMBL20028588 0.92 CAPN1 (0.54) MAPTCAPN1ALDH1A1CTSS
SCHEMBL21854260 0.92 MAPT (0.54) MAPTCAPN1KLKB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 MAPT 562/4885CAPN1 3/4885KLKB1 3617/4885

“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.