SCHEMBL6845366

SCHEMBL6845366

O=C(O)c1ccc(C(O)c2cc3cc(C(=O)NCc4ccncc4)ccc3cc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.52
MMP13 P45452 4/20 0.45
CYP3A4 P08684 4/20 0.45
MAPK14 Q16539 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
NAMPT P43490 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
CA2 P00918 1/20 0.43
GAA P10253 1/20 0.43
ROCK2 O75116 1/20 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

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
SCHEMBL6842637 0.91 NR1H4 (0.61) NR1H4MMP13HDAC3HDAC1HDAC2
SCHEMBL6843373 0.88 LMNA (0.48) NR1H4MMP13CYP3A4LMNAHTT
SCHEMBL6843207 0.88 NR1H4 (0.55) NR1H4MMP13HDAC3HDAC1HDAC2
SCHEMBL6843326 0.88 NR1H4 (0.55) NR1H4MMP13SMN1; SMN2HDAC3HDAC1
SCHEMBL6843480 0.88 NR1H4 (0.55) NR1H4MMP13SMN1; SMN2HDAC3HDAC1
SCHEMBL6843414 0.88 NR1H4 (0.55) NR1H4MMP13CYP3A4MAPK14LMNA
SCHEMBL6845319 0.88 NR1H4 (0.55) NR1H4MMP13LMNAHDAC3HDAC1
SCHEMBL6843011 0.87 NR1H4 (0.52) NR1H4MAPK14HDAC3HDAC1HDAC2
SCHEMBL6195421 0.86 NR1H4 (0.57) NR1H4MMP13CYP3A4MAPK14LMNA
SCHEMBL6842474 0.86 NPC1 (0.54) NR1H4MMP13SMN1; SMN2HDAC1EPHX2

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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 NR1H4 1615/4885MMP13 3/4885CYP3A4 1935/4885

“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.