SCHEMBL22896744

SCHEMBL22896744

NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1scnc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 12/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL21854115 0.85 CAPN1 (0.56) CAPN1CTSS
SCHEMBL22897053 0.85 CAPN1 (0.45) CAPN1KMT2ACTSS
SCHEMBL22896932 0.85 CAPN1 (0.43) CAPN1SMN1; SMN2LMNAPOLBCTSS
SCHEMBL22896980 0.84 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22896106 0.83 CAPN1 (0.50) CAPN1CTSS
SCHEMBL22896735 0.83 CAPN1 (0.48) CAPN1ALDH1A1TSHRKDM4EMEN1
SCHEMBL22896470 0.83 CAPN1 (0.42) CAPN1ALDH1A1TSHRKDM4EMEN1
SCHEMBL22896913 0.83 CAPN1 (0.42) CAPN1ALDH1A1TSHRKDM4EMEN1
SCHEMBL22896575 0.82 CAPN1 (0.40) CAPN1ALDH1A1TSHRKDM4EMEN1
SCHEMBL22896978 0.82 CAPN1 (0.42) CAPN1ALDH1A1TSHRKDM4EMEN1

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 3/4885ALDH1A1 4193/4885TSHR 4380/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885ALDH1A1 4421/4885TSHR 4691/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885ALDH1A1 4193/4885TSHR 4380/4885

“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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