SCHEMBL5375911

SCHEMBL5375911

COc1nc(Nc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c(O)c2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.49
▸ MMP1 P03956 4/20 0.42
▸ MMP13 P45452 4/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ADAM17 P78536 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL5424630 0.93 ACHE (0.54) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL5395729 0.91 ACHE (0.52) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL5383999 0.91 ACHE (0.51) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL14428601 0.90 ACHE (0.51) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL14428624 0.90 ACHE (0.51) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL5383081 0.90 ACHE (0.51) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL14503390 0.89 LMNA (0.51) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL5383850 0.88 ACHE (0.49) ACHEMMP1MMP13MMP9MCOLN3
SCHEMBL14428642 0.87 ACHE (0.48) ACHEMMP1MMP13MMP9MCOLN3

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 7 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

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 3125/4885MMP1 3495/4885MMP13 1302/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885MMP1 2877/4885MMP13 955/4885

“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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