SCHEMBL5381941

SCHEMBL5381941

CC(=O)N1CCN(c2nc(Nc3ccc(N(Cc4ccccc4)S(=O)(=O)c4ccc(C)cc4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RORC P51449 2/20 0.38
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL5388994 0.93 ACHE (0.54) ACHEMAPTALDH1A1CA12CA1
SCHEMBL5424630 0.92 ACHE (0.54) ACHEMAPTALDH1A1CA12CA1
SCHEMBL14503612 0.91 ACHE (0.49) ACHEMAPTALDH1A1RORCCA12
SCHEMBL5395729 0.91 ACHE (0.52) ACHEMAPTALDH1A1CA12CA1
SCHEMBL5383850 0.90 ACHE (0.49) ACHEMAPTALDH1A1CA12CA1
SCHEMBL5383999 0.90 ACHE (0.51) ACHEMAPTALDH1A1CA12CA1
SCHEMBL5384009 0.90 ACHE (0.47) ACHEMAPTALDH1A1CA12CA1
SCHEMBL5452070 0.90 ACHE (0.47) ACHEMAPTALDH1A1CA12CA1
SCHEMBL14428624 0.89 ACHE (0.51) ACHEMAPTALDH1A1CA12CA1
SCHEMBL5383081 0.89 ACHE (0.51) ACHEMAPTALDH1A1CA12CA1

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 5 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
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 — — 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 (2 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
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885MAPT 2630/4885ALDH1A1 2096/4885

“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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