SCHEMBL6446002

SCHEMBL6446002

COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
PAX8 Q06710 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 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
SCHEMBL5967334 1.00 SMN1; SMN2 (0.49) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5966841 0.91 ALDH1A1 (0.49) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5966897 0.90 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5967356 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL20515051 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5966948 0.87 CYP2C9 (0.49) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL7365506 0.87 ALDH1A1 (0.48) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL7366464 0.86 PSEN1 (0.43) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5967171 0.85 CYP2C9 (0.50) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5966981 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HTTL3MBTL1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP SMN1; SMN2 1690/4885HTT 50/4885L3MBTL1 4441/4885

“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.