SCHEMBL6697241

SCHEMBL6697241

CC(C)(C)OC(=O)c1ccc(C(=O)N2C=Cc3ccc(C(=O)NCc4cccnc4)cc3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
BLM P54132 1/20 0.46
CYP2C19 P33261 1/20 0.45
MMP13 P45452 1/20 0.45
GAA P10253 1/20 0.45
NAMPT P43490 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL6700028 0.91 PIK3CA (0.37) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL6179339 0.90 GAA (0.43) LMNAALDH1A1MAPTHTTCYP3A4
SCHEMBL6175040 0.87 GAA (0.50) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL6177877 0.84 MAPT (0.41) LMNAMAPTHTTL3MBTL1CYP2C19
SCHEMBL6179238 0.84 MMP13 (0.41) LMNAMMP13NAMPT
SCHEMBL6700944 0.77 ROCK2 (0.42) GAANAMPT
SCHEMBL6174514 0.76 GAA (0.46) LMNAALDH1A1MAPTHTTCYP3A4
SCHEMBL5697089 0.74 SRD5A1 (0.35) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL5697054 0.74 NR1H2 (0.42) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5697146 0.73 MMP13 (0.38) MMP13

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.