Sugi Predict

Sugi Predict / Compounds / SCHEMBL5381065

SCHEMBL5381065

SCHEMBL5381065

NC[C@@H]1C[C@H](N)CN1c1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3O)c(O)c2)nc(N2C[C@H](N)C[C@H](N)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.39
▸ SCN9A Q15858 7/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ PLAU P00749 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ F12 P00748 1/20 0.33
▸ PNLIP P16233 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
SCHEMBL5392146 0.92 ALOX15 (0.32) SCN9AIRAK4IRAK1ALOX15TSHR
SCHEMBL5375652 0.92 SCN9A (0.41) KLKB1SCN9AIRAK4PLAUF2
SCHEMBL14503827 0.92 SCN9A (0.41) KLKB1SCN9AIRAK4PLAUF2
SCHEMBL5386862 0.91 SCN9A (0.38) SCN9AF10CA12CA1CA2
SCHEMBL5382726 0.86 SCN9A (0.42) KLKB1SCN9AIRAK4PLAUF2
SCHEMBL5383083 0.86 SCN9A (0.42) KLKB1SCN9AIRAK4PLAUF2
SCHEMBL5401098 0.86 SCN9A (0.37) SCN9AF10CA12CA1CA2
SCHEMBL14428739 0.86 SCN9A (0.37) SCN9AF10CA12CA1CA2
SCHEMBL5383878 0.85 SCN9A (0.42) KLKB1SCN9AIRAK4PLAUF2
SCHEMBL5383230 0.85 SCN9A (0.43) KLKB1SCN9AIRAK4CA12CA1

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 6 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-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 KLKB1 4506/4885SCN9A 4552/4885IRAK4 1326/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KLKB1 3825/4885SCN9A 4783/4885IRAK4 1932/4885

“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.