SCHEMBL10048875

SCHEMBL10048875

O=C(/C=C/c1ccccc1)N1CCN(C(=O)CNc2c(-c3ccccc3F)nc3cnccn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
GPR183 P32249 7/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
CDK9 P50750 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL10048641 0.89 GAA (0.48) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL10048865 0.85 GAA (0.47) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963675 0.85 GAA (0.47) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963677 0.83 GAA (0.42) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963661 0.83 GAA (0.43) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963744 0.83 KDM4E (0.43) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963835 0.83 NAMPT (0.49) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL10048684 0.83 KDM4E (0.46) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963678 0.82 GAA (0.45) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963756 0.82 GAA (0.43) GAAALDH1A1KDM4EHPGDCASP1

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 1859/4885ALDH1A1 1069/4885KDM4E 4027/4885

“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.