SCHEMBL6697229

SCHEMBL6697229

CC(C)(C)OC(=O)c1ccc(Cn2ccc3ccc(C(=O)NCc4cccnc4)cc3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.48
NAMPT P43490 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 1/20 0.46
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL6700025 0.91 MMP13 (0.45) LMNAPOLB
SCHEMBL6179334 0.90 MMP13 (0.48) LMNAALDH1A1POLBGAAKMT2A
SCHEMBL6175029 0.87 GAA (0.57) LMNAALDH1A1MAPTPOLBNAMPT
SCHEMBL6177868 0.85 LMNA (0.50) LMNAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL6179234 0.84 MMP13 (0.60) LMNAPOLB
SCHEMBL6168393 0.80 LMNA (0.46) LMNAALDH1A1POLBUSP2GAA
SCHEMBL6357989 0.80 MMP13 (0.65) NAMPTSMN1; SMN2
SCHEMBL6704286 0.79 EPHX2 (0.44) LMNAALDH1A1SMN1; SMN2
SCHEMBL8345034 0.78 CRHBP (0.41) LMNAMAPTHTTPOLBKMT2A
SCHEMBL6176333 0.77 MMP13 (0.52) LMNAGAA

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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 LMNA 1815/4885ALDH1A1 1297/4885MAPT 2142/4885

“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.