SCHEMBL6177877

SCHEMBL6177877

CC(C)(C)OC(=O)c1ccc(C(=O)N2C=Cc3ccc(C(=O)NCc4ccc(F)cc4)cc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NAMPT P43490 3/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6179339 0.89 GAA (0.43) MAPTNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL6700028 0.87 PIK3CA (0.37) MAPTNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL6181335 0.86 NR1H4 (0.47) MAPTNAMPTLMNAEPHX2
SCHEMBL6697241 0.84 LMNA (0.48) MAPTNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL6179238 0.83 MMP13 (0.41) NAMPTTP53THRBLMNAEPHX2
SCHEMBL5697054 0.77 NR1H2 (0.42) MAPTMEN1KMT2AGAALMNA
SCHEMBL6174514 0.74 GAA (0.46) MAPTNAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL5697245 0.73 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5697146 0.72 MMP13 (0.38)
SCHEMBL6700944 0.72 ROCK2 (0.42) NAMPTGAAEPHX2

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
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MAPT 2142/4885NAMPT 1755/4885TP53 3722/4885

“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.