SCHEMBL25758742

SCHEMBL25758742

Cc1ccc(OCC(=O)NC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
HDAC1 Q13547 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.52

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
SCHEMBL8248742 0.85 SMN1; SMN2 (0.64) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL8241785 0.85 RAB9A (0.66) ALDH1A1LMNAL3MBTL1KMT2AHPGD
SCHEMBL21026114 0.85 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL10765557 0.84 SMN1; SMN2 (0.63) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL27493747 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL20024729 0.83 MAPT (0.57) ALDH1A1LMNAL3MBTL1HPGDGAA
SCHEMBL6538992 0.83 GAA (0.61) ALDH1A1LMNAL3MBTL1KMT2AHPGD
SCHEMBL6539272 0.83 LMNA (0.54) ALDH1A1LMNAL3MBTL1KMT2AHPGD
SCHEMBL8248620 0.82 SMN1; SMN2 (0.61) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL21197867 0.82 GAA (0.68) ALDH1A1LMNAL3MBTL1HPGDGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 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 (1 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885LMNA 2202/4885L3MBTL1 544/4885

“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.