SCHEMBL5380778

SCHEMBL5380778

CC(C)CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
BRPF1 P55201 2/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AKT1 P31749 4/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DEGS1 O15121 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL14428565 0.93 MAPK1 (0.37) MAPK1BRPF1HSP90AA1HSP90AB1AKT1
SCHEMBL5400741 0.93 AKT1 (0.44) MAPK1AKT1MEN1KMT2ACA1
SCHEMBL5396837 0.91 CA1 (0.43) MAPK1HSP90AA1HSP90AB1AKT1MEN1
SCHEMBL5392619 0.90 BRPF1 (0.46) BRPF1DPP4CA1CA2ALDH1A1
SCHEMBL5400308 0.89 DEGS1 (0.40) HSP90AA1MEN1KMT2ADEGS1POLB
SCHEMBL5392660 0.85 CA1 (0.36) BRPF1DPP4CA1CA2ALDH1A1
SCHEMBL5391073 0.85 MAPT (0.43) MAPK1MEN1KMT2ACA1CA2
SCHEMBL14428802 0.85 AKT1 (0.44) MAPK1AKT1MEN1KMT2ACA1
SCHEMBL5428794 0.84 DEGS1 (0.36) HSP90AA1MEN1KMT2ADEGS1
SCHEMBL14428800 0.83 MAPT (0.42) MAPK1HSP90AA1HSP90AB1AKT1MEN1

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-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

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 MAPK1 3725/4885BRPF1 1773/4885HSP90AA1 1591/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPK1 3590/4885BRPF1 1800/4885HSP90AA1 1182/4885

“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.