SCHEMBL5386394

SCHEMBL5386394

Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(NCCN4CCNC4=O)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ CA12 O43570 4/20 0.35
▸ GBA1 P04062 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MMP1 P03956 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MCL1 Q07820 2/20 0.32

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
SCHEMBL14503672 0.91 ACHE (0.43) ACHEALDH1A1CA1CA2CA9
SCHEMBL5388994 0.87 ACHE (0.54) ACHEALDH1A1CA1CA2CA9
SCHEMBL5424630 0.86 ACHE (0.54) ACHEALDH1A1CA1CA2CA9
SCHEMBL5383850 0.86 ACHE (0.49) ACHEALDH1A1CA1CA2CA9
SCHEMBL5384893 0.85 ACHE (0.43) ACHEALDH1A1GBA1MAPTLMNA
SCHEMBL5395729 0.85 ACHE (0.52) ACHEALDH1A1CA1CA2CA9
SCHEMBL5383999 0.84 ACHE (0.51) ACHEALDH1A1CA1CA2CA9
SCHEMBL14428624 0.83 ACHE (0.51) ACHEALDH1A1CA1CA2CA9
SCHEMBL5383081 0.83 ACHE (0.51) ACHEALDH1A1CA1CA2CA9
SCHEMBL14428601 0.83 ACHE (0.51) ACHEALDH1A1CA1CA2CA9

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 4 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-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 3125/4885ALDH1A1 2233/4885CA1 4865/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885ALDH1A1 2096/4885CA1 4538/4885

“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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