SCHEMBL22895951

SCHEMBL22895951

Cc1[nH]nc(C(=O)NC(Cc2ccccn2)C(=O)C(N)=O)c1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CAPN1 P07384 11/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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 0.90 CAPN1 (0.51) CTSSCAPN1
SCHEMBL22896458 0.88 CAPN1 (0.45) CTSSCAPN1
SCHEMBL22896785 0.86 CAPN1 (0.39) CTSSCAPN1
SCHEMBL22896419 0.85 CAPN1 (0.39) CTSSCAPN1KDM4EHSD17B10ALDH1A1
SCHEMBL22896541 0.85 CAPN1 (0.45) CTSSCAPN1
SCHEMBL22896890 0.85 CAPN1 (0.41) CTSSCAPN1
SCHEMBL22896708 0.85 USP30 (0.44) CAPN1USP30ALDH1A1
SCHEMBL22896850 0.85 CAPN1 (0.42) CTSSCAPN1
SCHEMBL22895950 0.85 CAPN1 (0.42) CTSSCAPN1
SCHEMBL22896365 0.85 CAPN1 (0.43) CTSSCAPN1

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 HDAC6 40/4885HDAC1 517/4885CTSS 210/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 HDAC6 56/4885HDAC1 568/4885CTSS 199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 HDAC6 40/4885HDAC1 517/4885CTSS 210/4885

“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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