SCHEMBL22896512

SCHEMBL22896512

COC(=O)c1cc(C)nn1-c1ccc(CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.48
PLAU P00749 1/20 0.47
IRF3 Q14653 1/20 0.45
STING1 Q86WV6 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.44
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
NAMPT P43490 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL22896513 0.92 MAPT (0.57) MAPTL3MBTL1TDP1ALDH1A1PLAU
SCHEMBL20027618 0.88 MAPT (0.52) MAPTL3MBTL1ALDH1A1TP53HPGD
SCHEMBL20028525 0.87 MAPT (0.55) MAPTL3MBTL1TDP1ALDH1A1TP53
SCHEMBL20028059 0.85 MAPT (0.57) MAPTL3MBTL1TDP1ALDH1A1TP53
SCHEMBL20028140 0.84 MAPT (0.64) MAPTL3MBTL1ALDH1A1TP53HPGD
SCHEMBL22896939 0.83 MAPT (0.55) MAPTL3MBTL1ALDH1A1TP53HPGD
SCHEMBL20028202 0.82 MAPT (0.55) MAPTL3MBTL1TDP1ALDH1A1TP53
SCHEMBL22896858 0.82 MAPT (0.50) MAPTL3MBTL1TDP1ALDH1A1TP53
SCHEMBL20027969 0.81 MAPT (0.51) MAPTL3MBTL1TDP1ALDH1A1PLAU
SCHEMBL20027616 0.80 MAPT (0.56) MAPTL3MBTL1TDP1ALDH1A1TP53

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 MAPT 562/4885L3MBTL1 3522/4885TDP1 1147/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 MAPT 330/4885L3MBTL1 4453/4885TDP1 1626/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 MAPT 562/4885L3MBTL1 3522/4885TDP1 1147/4885

“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.