SCHEMBL20028705

SCHEMBL20028705

CCOC(=O)c1cc(C)nn1-c1cccc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
SLC9A1 P19634 1/20 0.43
ELANE P08246 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
PTK2B Q14289 1/20 0.43
PDE10A Q9Y233 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20028704 0.84 SLC9A1 (0.47) ALDH1A1MAPTHTTSLC9A1LMNA
SCHEMBL21882083 0.83 PDE10A (0.49) ALDH1A1MAPTHTTSLC9A1ELANE
SCHEMBL15209864 0.80 PDE10A (0.47) ALDH1A1MAPTHTTSLC9A1ELANE
SCHEMBL20027742 0.78 SMN1; SMN2 (0.60) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL6314486 0.77 SLC9A1 (0.65) ALDH1A1MAPTSLC9A1ELANERAB9A
SCHEMBL15218573 0.76 LMNA (0.55) ALDH1A1MAPTSLC9A1LMNAKMT2A
SCHEMBL3829566 0.76 ALDH1A1 (0.74) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL20265483 0.76 SLC9A1 (0.54) ALDH1A1MAPTSLC9A1ELANERAB9A
SCHEMBL20265829 0.76 MALT1 (0.57) ALDH1A1MAPTHTTSLC9A1ELANE
SCHEMBL20265188 0.76 SLC9A1 (0.54) ALDH1A1MAPTHTTSLC9A1ELANE

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 4 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
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 (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 ALDH1A1 4193/4885MAPT 562/4885HTT 889/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885MAPT 330/4885HTT 740/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885MAPT 562/4885HTT 889/4885

“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.