SCHEMBL22896972

SCHEMBL22896972

NC(=O)C(=O)C(CCc1ccco1)NC(=O)c1nsnc1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.39
▸ ALDH1A1 P00352 8/20 0.37
▸ TSHR P16473 5/20 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
▸ HSD17B10 Q99714 5/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 4/20 0.35
▸ HTT P42858 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ NTRK1 P04629 1/20 0.34

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 0.91 CAPN1 (0.42) CAPN1ALDH1A1TSHRADORA3ADORA2A
SCHEMBL22896540 0.86 CAPN1 (0.44) CAPN1ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL22896979 0.86 CAPN1 (0.40) CAPN1HTTKMT2ALMNA
SCHEMBL22896697 0.85 CAPN1 (0.40) CAPN1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22896688 0.84 CAPN1 (0.39) CAPN1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22896685 0.84 CAPN1 (0.40) CAPN1
SCHEMBL22896700 0.82 CAPN1 (0.46) CAPN1
SCHEMBL22896496 0.82 CAPN1 (0.40) CAPN1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL22896435 0.81 CAPN1 (0.44) CAPN1
SCHEMBL22896968 0.81 CAPN1 (0.41) CAPN1ALDH1A1TSHR

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.

Send feedback