SCHEMBL10048705

SCHEMBL10048705

CC(=O)N1CCN(C(=O)C(C)Nc2c(-c3ccccc3)nc3cnccn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
KDM4E B2RXH2 6/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
BRAF P15056 3/20 0.47
BRD4 O60885 2/20 0.47
CDK9 P50750 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
ATM Q13315 3/20 0.42
TLR9 Q9NR96 1/20 0.42
SLC2A1 P11166 1/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 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
SCHEMBL10048762 0.90 GAA (0.52) GAAKDM4ELMNABRD4ATM
SCHEMBL10048683 0.89 GAA (0.48) GAAKDM4ELMNAMAPK1BRAF
SCHEMBL10048709 0.89 BRD4 (0.50) GAAKDM4ELMNAMAPK1BRAF
SCHEMBL14963741 0.89 GAA (0.55) GAAKDM4ELMNABRD4ATM
SCHEMBL10048658 0.89 GAA (0.47) GAAKDM4ELMNAMAPK1BRAF
SCHEMBL10048678 0.89 GAA (0.46) GAAKDM4ELMNAMAPK1BRAF
SCHEMBL10049223 0.88 GAA (0.46) GAAKDM4ELMNAMAPK1BRAF
SCHEMBL10048711 0.88 GAA (0.51) GAAKDM4ELMNABRD4ATM
SCHEMBL14963720 0.87 GAA (0.47) GAAKDM4ELMNAMAPK1BRAF
SCHEMBL10048662 0.86 GAA (0.45) GAAKDM4ELMNAMAPK1BRAF

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 4027/4885LMNA 3762/4885

“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.