SCHEMBL10049148

SCHEMBL10049148

CN(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CDK9 P50750 1/20 0.47
BRD4 O60885 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 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
SCHEMBL10048689 0.92 CDK9 (0.52) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14963799 0.90 KDM4E (0.59) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10048887 0.88 KDM4E (0.48) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10048718 0.88 GAA (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10048881 0.86 GAA (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14963817 0.86 KDM4E (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10049150 0.85 GAA (0.52) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10049164 0.83 GAA (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14963678 0.83 GAA (0.45) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10049158 0.83 GAA (0.51) GAAKDM4EALDH1A1HPGDHSD17B10

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 GAA 1859/4885KDM4E 4027/4885ALDH1A1 1069/4885

“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.