SCHEMBL18066433

SCHEMBL18066433

O=C1c2ccccc2C(=O)N1C[C@H]1c2ccccc2CCN1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 15/20 0.73
NPSR1 Q6W5P4 2/20 0.71
ALDH1A1 P00352 2/20 0.71
NFE2L2 Q16236 6/20 0.71
ATM Q13315 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.70
MAPK1 P28482 1/20 0.67
MAPT P10636 2/20 0.62
MEN1 O00255 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL14921353 0.87 MAPK1 (0.67) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL14921954 0.86 KEAP1 (0.66) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL19067070 0.86 KEAP1 (0.57) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL14921403 0.85 MAPK1 (0.65) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL16017668 0.84 MAPK1 (0.67) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL14921401 0.83 ALDH1A1 (1.00) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL14921399 0.83 ALDH1A1 (1.00) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL23815775 0.83 KEAP1 (1.00) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL14934022 0.83 KEAP1 (1.00) KEAP1NPSR1ALDH1A1NFE2L2ATM
SCHEMBL20208400 0.83 KEAP1 (1.00) KEAP1NPSR1ALDH1A1NFE2L2ATM

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-9657017-B2 Crystal form of (R)-praziquantel and preparation method and application thereof TONGLI BIOMEDICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-20160272636-A1 CRYSTAL FORM OF (R)-PRAZIQUANTEL AND PREPARATION METHOD AND APPLICATION THEREOF TONGLI BIOMEDICAL CO., LTD (CN) 2016-09-22 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-20160272636-A1 CRYSTAL FORM OF (R)-PRAZIQUANTEL AND PREPARATION METHOD AND APPLICATION THEREOF CYP2C9, CYP1A2, CYP4B1 KEAP1 3285/4885NPSR1 2982/4885ALDH1A1 987/4885

“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.