SCHEMBL14428642

SCHEMBL14428642

Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@@H](N)C[C@@H]4CN)n3)cc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.48
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PTGES O14684 1/20 0.33

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
SCHEMBL5376153 1.00 ACHE (0.48) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL14428726 0.95 ACHE (0.46) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5391176 0.95 ACHE (0.46) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL14428646 0.94 ACHE (0.48) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5392859 0.94 ACHE (0.48) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5388994 0.94 ACHE (0.54) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5424630 0.93 ACHE (0.54) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5395729 0.91 ACHE (0.52) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5383999 0.91 ACHE (0.51) ACHEMAPTALDH1A1MMP1MMP9
SCHEMBL5383081 0.90 ACHE (0.51) ACHEMAPTALDH1A1MMP1MMP9

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 ACHE 3125/4885MAPT 2536/4885ALDH1A1 2233/4885

“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.

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