SCHEMBL7528897

SCHEMBL7528897

CCCC1c2nc[nH]c2CCN1C(=O)OCCOC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.54
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
IDH1 O75874 1/20 0.31
MMP1 P03956 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7534337 0.91 AOC3 (0.56) AOC3MMP2MMP3MMP9MMP8
SCHEMBL7528248 0.84 AOC3 (0.46) AOC3PTGDR2
SCHEMBL7528894 0.82 AOC3 (0.46) AOC3ALDH1A1POLB
SCHEMBL7571934 0.81 AOC3 (0.46) AOC3KDM4EALDH1A1POLB
SCHEMBL7527434 0.79 AOC3 (0.63) AOC3MMP2MMP3MMP9MMP8
Trifluoroacetic Acid SCHEMBL7528873 0.78 AOC3 (0.52) AOC3PTGDR2KDM4ELMNA
Trifluoroacetic Acid SCHEMBL7530958 0.75 AOC3 (0.40) AOC3ALDH1A1
SCHEMBL7527633 0.75 AOC3 (0.48) AOC3PTGDR2KDM4E
SCHEMBL7534329 0.72 AOC3 (0.48) AOC3ALDH1A1POLB
Hydrochloric Acid SCHEMBL11490292 0.72 AOC3 (0.58) AOC3KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans BIOVITRUM AB (SE) 2002-12-26 US disclosed
WO-2002038153-A1 NEW USE OF 4, 5, 6, 7-TETRAHYDROIMIDAZO-[4,5-C]PYRIDINE DERIVATIVES BIOVITRUM AB (SE) 2002-05-16 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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans AOC3, AOC2, AOC1 AOC3 1/4885MMP2 675/4885MMP3 788/4885

“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.