SCHEMBL5395802

SCHEMBL5395802

COc1ccc(C(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)c(O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
KLKB1 P03952 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL5385049 0.90 PTGS2 (0.37) PTGS2NPSR1MAPTKDR
SCHEMBL5397134 0.88 KLKB1 (0.53) KLKB1RECQLBLMKDM4ELMNA
SCHEMBL14505063 0.85 PTGS2 (0.55) PTGS2ALDH1A1RAD52RECQLBLM
SCHEMBL5448394 0.84 HSD11B1 (0.43) PTGS2ALDH1A1LMNAHTTMAPT
SCHEMBL14429009 0.83 RAD52 (0.40) PTGS2RAD52RECQLBLMKDM4E
SCHEMBL5387722 0.83 TERT (0.43) PTGS2KLKB1RAD52RECQLBLM
SCHEMBL5383893 0.83 KLKB1 (0.51) KLKB1ALDH1A1HPGDNPSR1MAPT
SCHEMBL5381130 0.82 PLAU (0.48) PTGS2ALDH1A1RAD52RECQLBLM
SCHEMBL5381118 0.81 RAD52 (0.38) PTGS2RAD52RECQLBLMSMN1; SMN2
SCHEMBL5387678 0.81 GAA (0.44) PTGS2ALDH1A1RECQLBLMKDM4E

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 5 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-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 PTGS2 4416/4885KLKB1 4506/4885ALDH1A1 2233/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PTGS2 4131/4885KLKB1 3825/4885ALDH1A1 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.