SCHEMBL22896419

SCHEMBL22896419

Cc1[nH]nc(C(=O)NC(Cc2ccco2)C(=O)C(N)=O)c1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 11/20 0.39
▸ TSHR P16473 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL22896895 0.85 CAPN1 (0.51) CAPN1CTSS
SCHEMBL22895951 0.85 HDAC6 (0.41) CAPN1ALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL22895950 0.84 CAPN1 (0.42) CAPN1CTSS
SCHEMBL22896910 0.84 CAPN1 (0.42) CAPN1TSHRALDH1A1HSD17B10MAPT
SCHEMBL22896458 0.84 CAPN1 (0.45) CAPN1CTSS
SCHEMBL22897190 0.83 CAPN1 (0.39) CAPN1TSHRALDH1A1HSD17B10MAPT
SCHEMBL22896708 0.83 USP30 (0.44) CAPN1ALDH1A1POLBF2KIT
SCHEMBL22896898 0.83 TSHR (0.41) CAPN1TSHRALDH1A1HSD17B10MAPT
SCHEMBL22896633 0.83 CAPN1 (0.39) CAPN1TSHRALDH1A1HSD17B10MAPT
SCHEMBL22896785 0.82 CAPN1 (0.39) CAPN1CTSS

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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