SCHEMBL6174514

SCHEMBL6174514

O=C(O)c1ccc(C(=O)N2C=Cc3ccc(C(=O)NCc4ccncc4)cc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NAMPT P43490 3/20 0.45
MMP13 P45452 3/20 0.45
NR1H4 Q96RI1 3/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
ROCK2 O75116 3/20 0.42
HTT P42858 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK14 Q16539 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 2/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
GSK3A P49840 1/20 0.42

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) GAANAMPTNR1H4ROCK2EPHX2
SCHEMBL6175040 0.88 GAA (0.50) GAANAMPTMMP13ALDH1A1LMNA
SCHEMBL6181335 0.88 NR1H4 (0.47) NAMPTMMP13NR1H4LMNAEPHX2
SCHEMBL6179339 0.86 GAA (0.43) GAANAMPTMMP13ALDH1A1LMNA
SCHEMBL6176385 0.85 MMP13 (0.46) MMP13NR1H4LMNAEPHX2
SCHEMBL6700028 0.76 PIK3CA (0.37) NAMPTALDH1A1LMNAROCK2HTT
SCHEMBL6697241 0.76 LMNA (0.48) GAANAMPTMMP13ALDH1A1LMNA
SCHEMBL6177877 0.74 MAPT (0.41) GAANAMPTLMNAHTTSMN1; SMN2
SCHEMBL6179238 0.74 MMP13 (0.41) NAMPTMMP13LMNAEPHX2GSK3B
SCHEMBL5697161 0.69 MMP13 (0.43) MMP13LMNACYP3A4MAPK1MEN1

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 1755/4885MMP13 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.