SCHEMBL20028264

SCHEMBL20028264

CCOC(=O)c1cnc(C)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 2/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
PDE4D Q08499 1/20 0.48
GABRB2 P47870 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
GABRA1 P14867 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
GABRA2 P47869 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.47

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
Hydrochloric Acid SCHEMBL8085201 0.82 ALDH1A1 (0.51) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL16040506 0.81 ALDH1A1 (0.45) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL20028539 0.77 ALDH1A1 (0.57) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL28720076 0.74 IDO1 (0.45) ALDH1A1MAPTKMT2AGABRB2CYP1A2
SCHEMBL4035995 0.74 IDO1 (0.49) ALDH1A1MAPTGAAHPGDTP53
SCHEMBL1541405 0.73 GABRB2 (0.60) ALDH1A1MAPTGAAHPGDTP53
SCHEMBL1078509 0.73 TP53 (0.58) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8156087 0.73 TP53 (0.58) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL27769609 0.73 ALDH1A1 (0.66) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6672586 0.73 ALDH1A1 (0.57) 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.