Sugi Predict

Sugi Predict / Compounds / SCHEMBL10048768

SCHEMBL10048768

SCHEMBL10048768

CC(Nc1c(-c2ccc(S(C)(=O)=O)cc2)nc2cnccn12)C(=O)N1CCN(C(C)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.47
▸ GAA P10253 7/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ BRAF P15056 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CASP1 P29466 2/20 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
SCHEMBL10048709 0.92 BRD4 (0.50) BRD4GAAKDM4ELMNAMAPK1
SCHEMBL10048771 0.87 ATM (0.42) BRD4GAAKDM4ELMNAATM
SCHEMBL10048895 0.87 ALDH1A1 (0.45) BRD4GAAKDM4ELMNAMAPK1
SCHEMBL14963854 0.86 GAA (0.44) BRD4GAAKDM4ELMNAATM
SCHEMBL14963847 0.85 BRD4 (0.45) BRD4GAAKDM4ELMNAMAPK1
SCHEMBL10048691 0.85 BRD4 (0.42) BRD4GAAKDM4ELMNAMAPK1
SCHEMBL14963839 0.84 GAA (0.41) BRD4GAAKDM4ELMNAMAPK1
SCHEMBL14963842 0.82 BRD4 (0.41) BRD4GAAKDM4ELMNAATM
SCHEMBL10048772 0.82 BRD4 (0.41) BRD4GAAKDM4ELMNAATM
SCHEMBL10048705 0.81 GAA (0.49) BRD4GAAKDM4ELMNAMAPK1

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 BRD4 544/4885GAA 1859/4885KDM4E 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.