SCHEMBL5384893

SCHEMBL5384893

Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(NCCCn4ccnc4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ KCNA5 P22460 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NAMPT P43490 6/20 0.34
▸ HTT P42858 2/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GBA1 P04062 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
SCHEMBL14503550 0.91 ACHE (0.43) ACHEKCNA5ALDH1A1ALOX15MAPT
SCHEMBL5388994 0.87 ACHE (0.54) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL5424630 0.86 ACHE (0.54) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL5386394 0.85 ACHE (0.43) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL5395729 0.85 ACHE (0.52) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL5383999 0.84 ACHE (0.51) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL14428601 0.83 ACHE (0.51) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL14428624 0.83 ACHE (0.51) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL5383081 0.83 ACHE (0.51) ACHEALDH1A1MAPTHTTLMNA
SCHEMBL5384009 0.83 ACHE (0.47) ACHEALDH1A1ALOX15MAPTSMN1; SMN2

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 3125/4885KCNA5 1979/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885KCNA5 2816/4885ALDH1A1 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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