SCHEMBL22897045

SCHEMBL22897045

NC(=O)C(=O)C(Cc1cccs1)NC(=O)c1nn[nH]c1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.40
▸ CAPN1 P07384 10/20 0.40
▸ RAB9A P51151 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ HPGDS O60760 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSPA1A P0DMV8 1/20 0.34
▸ HSPA5 P11021 1/20 0.34
▸ HSPA9 P38646 1/20 0.34
▸ HSPA2 P54652 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
SCHEMBL22896335 0.86 CAPN1 (0.43) CAPN1CTSS
SCHEMBL22897240 0.85 CAPN1 (0.39) CAPN1CTSS
SCHEMBL22897059 0.85 CAPN1 (0.49) CAPN1CTSS
SCHEMBL22897227 0.84 CAPN1 (0.43) CAPN1CTSS
SCHEMBL22896771 0.83 CAPN1 (0.43) USP30CAPN1CTSS
SCHEMBL22896691 0.83 CAPN1 (0.43) CAPN1CTSS
SCHEMBL22897190 0.83 CAPN1 (0.39) CAPN1POLBSMN1; SMN2CTSSLMNA
SCHEMBL22896708 0.83 USP30 (0.44) USP30CAPN1RAB9AESR1POLB
SCHEMBL22896565 0.82 USP30 (0.42) USP30CAPN1RAB9AESR1POLB
SCHEMBL22896706 0.82 CAPN1 (0.38) 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 USP30 748/4885CAPN1 3/4885RAB9A 2461/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 USP30 531/4885CAPN1 4/4885RAB9A 2055/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 USP30 748/4885CAPN1 3/4885RAB9A 2461/4885

“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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