SCHEMBL5393000

SCHEMBL5393000

CC(=O)Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
MAPT P10636 7/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCL1 Q07820 1/20 0.40
PTK2B Q14289 1/20 0.40
ALDH3A1 P30838 1/20 0.40
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5396035 0.85 RAD52 (0.43) MAPTPOLBKMT2AMEN1RAD52
SCHEMBL14503926 0.84 PTGS2 (0.56) HTTMAPTMAPK1POLBPKM
SCHEMBL5383031 0.82 ALDH1A1 (0.46) HTTMAPTMAPK1POLBNPSR1
SCHEMBL5376174 0.81 RAD52 (0.57) MAPTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL5380975 0.80 GAA (0.40) MAPTMAPK1POLBPKMNPSR1
SCHEMBL14503536 0.80 GAA (0.40) MAPTMAPK1POLBPKMNPSR1
SCHEMBL5395733 0.80 MAPT (0.42) HTTMAPTMAPK1POLBNPSR1
SCHEMBL5384671 0.79 CRHBP (0.46) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL5383747 0.77 MAPT (0.50) HTTMAPTMAPK1NPSR1ALDH1A1
SCHEMBL5391073 0.77 MAPT (0.43) MAPTMAPK1POLBPKMNPSR1

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 HTT 949/4885MAPT 2536/4885MAPK1 3725/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885MAPT 2630/4885MAPK1 3590/4885

“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.