SCHEMBL20028240

SCHEMBL20028240

C=CC[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)N(C)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.46
▸ KDM5B Q9UGL1 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AURKA O14965 8/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HCRTR2 O43614 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
SCHEMBL22800216 0.85 DCAF1 (0.39) DCAF1MAPTCTSVCTSLCTSS
SCHEMBL22896963 0.81 DCAF1 (0.53) DCAF1KDM5BALDH1A1
SCHEMBL20028623 0.81 DCAF1 (0.53) DCAF1KDM5BALDH1A1
SCHEMBL20028241 0.79 DCAF1 (0.50) DCAF1KDM5BMAPTAURKACTSV
SCHEMBL20028242 0.76 DCAF1 (0.52) DCAF1KDM5BAURKATP53ALDH1A1
SCHEMBL20028239 0.75 DCAF1 (0.46) DCAF1KDM5BMAPTAURKACTSV
SCHEMBL22800154 0.73 ALDH1A1 (0.46) MAPTTP53ALDH1A1
SCHEMBL22800170 0.73 KDM4E (0.43) TP53ALDH1A1
SCHEMBL22799765 0.72 MAPT (0.35) MAPTALDH1A1
SCHEMBL22800150 0.72 KDM4E (0.42) MAPTALDH1A1

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 2 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
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO 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 (1 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-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885KDM5B 4142/4885MAPT 562/4885

“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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