SCHEMBL10048889

SCHEMBL10048889

CS(=O)(=O)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(CCC3CCCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.45
TLR9 Q9NR96 5/20 0.45
GAA P10253 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
ALOX5 P09917 2/20 0.43
BRD4 O60885 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.42
GFER P55789 1/20 0.42
TP53 P04637 2/20 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
SCHEMBL10049211 0.89 GAA (0.54) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048714 0.89 ATM (0.46) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10049165 0.89 GAA (0.49) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048719 0.88 ALOX5 (0.53) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048867 0.87 GAA (0.47) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL14963824 0.86 ATM (0.46) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048863 0.85 GAA (0.47) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048681 0.85 GAA (0.45) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048669 0.85 GAA (0.51) ATMTLR9GAAALDH1A1KDM4E
SCHEMBL10048677 0.84 GAA (0.46) ATMTLR9GAAALDH1A1KDM4E

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 ATM 2987/4885TLR9 337/4885GAA 1859/4885

“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.