SCHEMBL20028539

SCHEMBL20028539

CCOC(=O)c1ncc(C)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 2/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
PDE4D Q08499 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RECQL P46063 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MAT2A P31153 1/20 0.45

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
SCHEMBL20028264 0.77 ALDH1A1 (0.57) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL2030683 0.74 KMT2A (0.41) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL20028541 0.74 MAPT (0.55) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL25780013 0.73 ALDH1A1 (0.56) ALDH1A1MAPTGAAKMT2AHPGD
SCHEMBL20028039 0.73 GABRA2 (0.52) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL18232361 0.73 KDM4E (0.42) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL15005226 0.73 MAPT (1.00) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL18356073 0.72 NPSR1 (0.48) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6496632 0.72 ALDH1A1 (0.49) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL12290084 0.72 ALOX15 (0.64) ALDH1A1MAPTGAAMEN1KMT2A

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 562/4885GAA 616/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885MAPT 330/4885GAA 751/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885MAPT 562/4885GAA 616/4885

“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.