SCHEMBL20028048

SCHEMBL20028048

CCOC(=O)c1cc(C)nn1-c1ccc(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 7/20 0.49
NPSR1 Q6W5P4 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.44
SLC34A1 Q06495 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 1/20 0.42
LMNA P02545 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
SCHEMBL16660099 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL20028058 0.84 SLC34A1 (0.52) ALDH1A1SMN1; SMN2NPSR1KMT2ATSHR
SCHEMBL20028500 0.84 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2NPSR1TSHRSLC34A1
SCHEMBL20028047 0.82 KDM5A (0.44) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL3829566 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL20028741 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL20028517 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL13757336 0.79 MAPT (0.47) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL20028518 0.78 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL20028738 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPSR1KMT2AMEN1

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 4193/4885SMN1; SMN2 200/4885NPSR1 3263/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885SMN1; SMN2 263/4885NPSR1 3020/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885SMN1; SMN2 200/4885NPSR1 3263/4885

“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.