SCHEMBL5387678

SCHEMBL5387678

COc1cccc(O)c1C(=O)Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
PNLIP P16233 1/20 0.43
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL5387702 1.00 GAA (0.44) GAAMAPTGFERPNLIPTSHR
SCHEMBL5381336 0.90 PNLIP (0.40) GAAMAPTGFERPNLIPRAB9A
SCHEMBL5381315 0.90 PNLIP (0.40) GAAMAPTGFERPNLIPRAB9A
SCHEMBL5392890 0.88 PNLIP (0.46) MAPTPNLIPRAB9ALMNAHCRTR1
SCHEMBL5392862 0.88 PNLIP (0.46) MAPTPNLIPRAB9ALMNAHCRTR1
SCHEMBL5397134 0.87 KLKB1 (0.53) MAPTGFERTSHRRAB9ALMNA
SCHEMBL5383965 0.86 MAPT (0.43) GAAMAPTGFERRAB9AHCRTR1
SCHEMBL14505239 0.85 MAPT (0.60) GAAMAPTGFERRAB9ALMNA
SCHEMBL5387722 0.82 TERT (0.43) PTGS2KDM4ERECQLBLM
SCHEMBL5390622 0.81 LMNA (0.46) MAPTPNLIPRAB9ALMNASMN1; 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 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 GAA 395/4885MAPT 2536/4885GFER 3960/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD GAA 778/4885MAPT 2630/4885GFER 3655/4885

“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.