SCHEMBL22896305

SCHEMBL22896305

Cc1nsc(C(=O)NC(Cc2ccco2)C(=O)C(N)=O)c1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 10/20 0.39
▸ TSHR P16473 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ F2 P00734 1/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL22896420 0.86 HDAC6 (0.41) CAPN1KDM4EGAAKMT2A
SCHEMBL22896292 0.86 CAPN1 (0.50) CAPN1
SCHEMBL22896434 0.85 CAPN1 (0.42) CAPN1
SCHEMBL22896158 0.84 USP30 (0.40) CAPN1F2KDM4EPOLBGAA
SCHEMBL22896493 0.84 CAPN1 (0.44) CAPN1
SCHEMBL22896575 0.83 CAPN1 (0.40) CAPN1TSHRALDH1A1F2HSD17B10
SCHEMBL22896419 0.83 CAPN1 (0.39) CAPN1TSHRALDH1A1F2HSD17B10
SCHEMBL22896898 0.83 TSHR (0.41) CAPN1TSHRALDH1A1HSD17B10KDM4E
SCHEMBL22895897 0.82 PSMB5 (0.41) CAPN1
SCHEMBL22895925 0.82 CAPN1 (0.43) CAPN1

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

“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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