SCHEMBL5384009

SCHEMBL5384009

Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4CCN(c5ccncc5)CC4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CYBB P04839 1/20 0.38
▸ NOX5 Q96PH1 1/20 0.38
▸ NOX3 Q9HBY0 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ MMP1 P03956 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ NAMPT P43490 1/20 0.34

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 0.92 ACHE (0.54) ACHEALDH1A1CNR2CA12CA1
SCHEMBL5424630 0.92 ACHE (0.54) ACHEALDH1A1CNR2CA12CA1
SCHEMBL14503572 0.91 CNR2 (0.49) ACHEALDH1A1CNR2CA12CA1
SCHEMBL5395729 0.90 ACHE (0.52) ACHEALDH1A1CNR2CA12CA1
SCHEMBL5381941 0.90 ACHE (0.47) ACHEALDH1A1CNR2CA12CA1
SCHEMBL5383850 0.90 ACHE (0.49) ACHEALDH1A1CNR2CA12CA1
SCHEMBL5383999 0.90 ACHE (0.51) ACHEALDH1A1CNR2CA12CA1
SCHEMBL5383081 0.89 ACHE (0.51) ACHEALDH1A1CNR2CA12CA1
SCHEMBL14428624 0.89 ACHE (0.51) ACHEALDH1A1CNR2CA12CA1
SCHEMBL14428601 0.89 ACHE (0.51) ACHEALDH1A1CNR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 — — US claimed
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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 — — 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 (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 2233/4885CNR2 4679/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885ALDH1A1 2096/4885CNR2 4427/4885

“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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