SCHEMBL6175029

SCHEMBL6175029

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
LMNA P02545 4/20 0.56
MMP13 P45452 5/20 0.51
NAMPT P43490 1/20 0.50
DHPS P49366 1/20 0.50
PPARG P37231 1/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PIK3CA P42336 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6176333 0.89 MMP13 (0.52) GAALMNAMMP13PIK3CAEGLN1
SCHEMBL6174508 0.88 MMP13 (0.59) GAALMNAMMP13ALDH1A1POLB
SCHEMBL6697229 0.87 LMNA (0.51) GAALMNANAMPTMAPTALDH1A1
SCHEMBL6181327 0.83 MMP13 (0.58) LMNAMMP13PPARGALDH1A1KDM4E
SCHEMBL6176003 0.80 MMP13 (0.65) LMNAMMP13POLBRXFP1
SCHEMBL6273019 0.77 MMP13 (0.84) GAALMNAMMP13NAMPT
SCHEMBL6700025 0.76 MMP13 (0.45) LMNAMMP13POLBRXFP1PIK3CA
SCHEMBL6843371 0.76 GAA (0.51) GAALMNANAMPTMAPTALDH1A1
SCHEMBL2116590 0.76 HDAC6 (0.56) EGLN1
SCHEMBL6194796 0.76 NR1H4 (0.59) GAALMNANAMPTMAPTALDH1A1

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 GAA 774/4885LMNA 1815/4885MMP13 2/4885

“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.