SCHEMBL20544798

SCHEMBL20544798

CC(c1ccc(Cl)cc1)N(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
MDM2 Q00987 1/20 0.44
AOC3 Q16853 1/20 0.43
BRD4 O60885 1/20 0.43
GABBR2 O75899 3/20 0.42
GABBR1 Q9UBS5 3/20 0.42
CYP2C9 P11712 3/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR2 O15552 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 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
SCHEMBL115981 0.82 ALOX5 (0.58) AOC3LMNACYP2D6ALOX5
SCHEMBL392218 0.80 GRIN2D (0.41) ADRB2MDM2AOC3BRD4CYP2C9
SCHEMBL21798511 0.79 MTOR (0.45) ADRB2MDM2AOC3BRD4GABBR2
SCHEMBL21798508 0.79 MTOR (0.45) ADRB2MDM2AOC3BRD4GABBR2
SCHEMBL20544517 0.76 BRD4 (0.42) MDM2BRD4MEN1KMT2AFFAR2
SCHEMBL27823569 0.76 ALOX5 (0.50) ALOX5
SCHEMBL9473244 0.74 ALOX5 (0.71) ALOX5
SCHEMBL16238976 0.73 PPARG (0.43) AOC3GABBR2GABBR1CYP2C9LMNA
Hydrogen Peroxide SCHEMBL10348371 0.70 ADRB2 (0.59) ADRB2AOC3BRD4CYP2C9LMNA
SCHEMBL1590331 0.70 PTGS2 (0.61) ADRB2BRD4CYP2C9LMNAMEN1

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-20180312516-A1 Protein Kinase B Inhibitors ASTRAZENECA AB (SE) 2018-11-01 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-20180312516-A1 Protein Kinase B Inhibitors PRKAR2B, PRKCB, AKT1 ADRB2 1451/4885MDM2 2678/4885AOC3 4843/4885

“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.