SCHEMBL6175040

SCHEMBL6175040

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NAMPT P43490 3/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 2/20 0.46
ROCK2 O75116 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 1/20 0.46
HTT P42858 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP13 P45452 1/20 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
SCHEMBL6700944 0.89 ROCK2 (0.42) GAANAMPTROCK2
SCHEMBL6174514 0.88 GAA (0.46) GAANAMPTALDH1A1MAPTLMNA
SCHEMBL6697241 0.87 LMNA (0.48) GAANAMPTALDH1A1L3MBTL1USP2
SCHEMBL6181335 0.82 NR1H4 (0.47) NAMPTMAPTLMNAMMP13
SCHEMBL6176385 0.80 MMP13 (0.46) LMNAMMP13
SCHEMBL6700028 0.76 PIK3CA (0.37) NAMPTALDH1A1L3MBTL1USP2NPSR1
SCHEMBL6179339 0.75 GAA (0.43) GAANAMPTALDH1A1MAPTLMNA
SCHEMBL5697161 0.70 MMP13 (0.43) LMNATSHRCYP3A4MMP13
SCHEMBL19623369 0.70 ALDH1A1 (0.78) GAAALDH1A1L3MBTL1USP2NPSR1
SCHEMBL1791073 0.70 LMNA (0.56) GAANAMPTALDH1A1L3MBTL1USP2

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 774/4885NAMPT 1755/4885ALDH1A1 1297/4885

“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.