SCHEMBL22896352

SCHEMBL22896352

NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1nsnc1-c1ccncn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 11/20 0.37
▸ ADORA2B P29275 4/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ CTSS P25774 1/20 0.31

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
SCHEMBL22896470 0.89 CAPN1 (0.42) CAPN1ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL22896496 0.88 CAPN1 (0.40) CAPN1ALDH1A1TSHRCTSS
SCHEMBL22897217 0.87 IKBKE (0.40) CAPN1ADORA2BADORA2AADORA1ALDH1A1
SCHEMBL21854344 0.85 CAPN1 (0.49) CAPN1CTSS
SCHEMBL22895963 0.85 CAPN1 (0.42) CAPN1CTSS
SCHEMBL22895969 0.84 CAPN1 (0.38) CAPN1
SCHEMBL22897123 0.84 CAPN1 (0.41) CAPN1ALDH1A1TSHRKMT2A
SCHEMBL22896934 0.84 CAPN1 (0.39) CAPN1TBK1CTSS
SCHEMBL22896936 0.83 CAPN1 (0.40) CAPN1CTSS
SCHEMBL22896201 0.83 ALDH1A1 (0.40) CAPN1ALDH1A1TSHRMEN1KMT2A

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 CAPN1 3/4885ADORA2B 3991/4885ADORA2A 3456/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885ADORA2B 3497/4885ADORA2A 2975/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885ADORA2B 3991/4885ADORA2A 3456/4885

“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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