SCHEMBL7058877

SCHEMBL7058877

CCNC(=O)Nc1ccc(Cn2c(=O)c3c(n(C)c2=O)NC(=O)C(C(=O)O)[S+]3[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.37
MTHFD2 P13995 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PARG Q86W56 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.32
GHSR Q92847 1/20 0.32
HDAC1 Q13547 1/20 0.32
RORC P51449 1/20 0.32
NPC1 O15118 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7059744 0.84 GAA (0.43) ALDH1A1LMNANPSR1HSD17B10HTT
SCHEMBL6681175 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMTHFD2NPSR1HSD17B10
SCHEMBL7061528 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL7062549 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMTHFD2NPSR1HSD17B10
SCHEMBL7120575 0.75 ALDH1A1 (0.47) ALDH1A1LMNANPSR1HTTMEN1
SCHEMBL6678863 0.72 MTHFD2 (0.39) ALDH1A1LMNAMTHFD2NPSR1HSD17B10
SCHEMBL6679666 0.71 MTHFD2 (0.38) ALDH1A1LMNAMTHFD2NPSR1HSD17B10
SCHEMBL7116631 0.71 KMT2A (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL7062180 0.65 MTHFD2 (0.39) LMNAMTHFD2KMT2APARGABCB1
SCHEMBL6684000 0.61 ABCB1 (0.35) ALDH1A1LMNAMTHFD2NPSR1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US 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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 ALDH1A1 812/4885LMNA 3842/4885MTHFD2 551/4885

“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.