SCHEMBL10048684

SCHEMBL10048684

CS(=O)(=O)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
ALOX15 P16050 1/20 0.46
BRD4 O60885 4/20 0.44
CDK9 P50750 1/20 0.42
GPR183 P32249 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 3/20 0.38
TLR9 Q9NR96 1/20 0.38
APAF1 O14727 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.91 GAA (0.48) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048691 0.85 BRD4 (0.42) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL14963835 0.85 NAMPT (0.49) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048895 0.84 ALDH1A1 (0.45) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL14963750 0.83 GAA (0.47) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048887 0.83 KDM4E (0.48) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048892 0.83 GAA (0.47) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048875 0.83 GAA (0.43) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048863 0.83 GAA (0.47) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048861 0.82 GAA (0.48) KDM4EGAAALDH1A1HPGDHSD17B10

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 KDM4E 4027/4885GAA 1859/4885ALDH1A1 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.