SCHEMBL22897175

SCHEMBL22897175

COC(=O)c1cc(C)nn1-c1ccc(CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.45
F10 P00742 3/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
POLB P06746 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL22897205 0.88 F10 (0.54) LOXL2ALDH1A1MAPTKMT2AF10
SCHEMBL18865511 0.88 KMT2A (0.52) ALDH1A1MAPTKMT2AF10RAB9A
SCHEMBL20028525 0.83 MAPT (0.55) ALDH1A1MAPTKMT2AGAARAB9A
SCHEMBL20028202 0.83 MAPT (0.55) ALDH1A1MAPTKMT2AGAARAB9A
SCHEMBL28825868 0.81 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AGAAL3MBTL1
SCHEMBL20027618 0.80 MAPT (0.52) ALDH1A1MAPTKMT2AGAAL3MBTL1
SCHEMBL20028140 0.78 MAPT (0.64) ALDH1A1MAPTKMT2AGAAL3MBTL1
SCHEMBL22896858 0.78 MAPT (0.50) ALDH1A1MAPTGAAL3MBTL1TDP1
SCHEMBL20027869 0.78 MAPT (0.52) ALDH1A1MAPTKMT2AL3MBTL1TDP1
SCHEMBL20028059 0.78 MAPT (0.57) ALDH1A1MAPTKMT2AGAARAB9A

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 LOXL2 3209/4885ALDH1A1 4193/4885MAPT 562/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 LOXL2 3525/4885ALDH1A1 4421/4885MAPT 330/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 LOXL2 3209/4885ALDH1A1 4193/4885MAPT 562/4885

“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.