SCHEMBL10048772

SCHEMBL10048772

CC(C)NC(=O)CN1CCN(C(=O)C(C)Nc2c(-c3ccc(S(C)(=O)=O)cc3)nc3cnccn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
ATM Q13315 3/20 0.40
TLR9 Q9NR96 2/20 0.40
NAMPT P43490 1/20 0.39
GAA P10253 9/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP11B2 P19099 2/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL10048661 0.90 GAA (0.46) BRD4ATMTLR9GAAMAPT
SCHEMBL10048869 0.88 GAA (0.45) BRD4ATMTLR9NAMPTGAA
SCHEMBL14963842 0.86 BRD4 (0.41) BRD4ATMTLR9GAAMAPT
SCHEMBL14963844 0.85 ATM (0.43) BRD4ATMTLR9GAAMAPT
SCHEMBL10048771 0.85 ATM (0.42) BRD4ATMTLR9GAAMAPT
SCHEMBL10048767 0.85 GAA (0.42) BRD4ATMTLR9GAAMAPT
SCHEMBL10048769 0.83 BRD4 (0.39) BRD4ATMTLR9GAAMAPT
SCHEMBL14963843 0.82 L3MBTL1 (0.40) ATMTLR9GAAALDH1A1MEN1
SCHEMBL14963839 0.82 GAA (0.41) BRD4ATMTLR9GAAMAPT
SCHEMBL10048768 0.82 BRD4 (0.47) BRD4ATMTLR9GAAMAPT

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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
WO-2012018665-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 BRD4 544/4885ATM 2987/4885TLR9 337/4885

“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.