SCHEMBL10048693

SCHEMBL10048693

CC(Nc1c(-c2ccccc2)nc2cnccn12)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.43
TLR9 Q9NR96 4/20 0.43
GAA P10253 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
BRD4 O60885 2/20 0.41
BRAF P15056 3/20 0.41
CDK9 P50750 1/20 0.41
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACVR1 Q04771 1/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL10048756 0.92 GAA (0.48) ATMTLR9GAAKDM4ELMNA
SCHEMBL14963761 0.91 ALOX5 (0.47) ATMTLR9GAAKDM4ELMNA
SCHEMBL10049195 0.90 GAA (0.48) ATMTLR9GAAKDM4ELMNA
SCHEMBL10048661 0.89 GAA (0.46) ATMTLR9GAAKDM4ELMNA
SCHEMBL14963774 0.88 ATM (0.44) ATMTLR9GAAKDM4ELMNA
SCHEMBL10048698 0.85 CDK9 (0.48) ATMTLR9GAAKDM4ELMNA
SCHEMBL10048705 0.85 GAA (0.49) ATMTLR9GAAKDM4ELMNA
SCHEMBL10048692 0.85 BRD4 (0.44) ATMTLR9GAAKDM4ELMNA
SCHEMBL10048660 0.85 ATM (0.48) ATMTLR9GAAKDM4ELMNA
SCHEMBL14963723 0.85 LMNA (0.43) ATMTLR9GAAKDM4ELMNA

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.