SCHEMBL10048638

SCHEMBL10048638

CC(C)NC(=O)CN1CCN(C(=O)CNc2c(-c3ccccc3)nc3cnccn23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
CDK9 P50750 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
BRAF P15056 2/20 0.44
ATM Q13315 6/20 0.43
BRD4 O60885 3/20 0.42
TLR9 Q9NR96 3/20 0.42
APAF1 O14727 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL10048869 0.90 GAA (0.45) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048880 0.89 GAA (0.42) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048698 0.88 CDK9 (0.48) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL14963828 0.88 ALDH1A1 (0.47) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048661 0.86 GAA (0.46) GAAKDM4EALDH1A1CDK9LMNA
SCHEMBL10048605 0.86 CDK9 (0.45) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048697 0.85 CDK9 (0.53) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048722 0.85 PTGS2 (0.54) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048598 0.84 GAA (0.45) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10048639 0.83 GAA (0.48) GAAKDM4EALDH1A1HPGDCASP1

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.