SCHEMBL14428565

SCHEMBL14428565

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)cc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AKT1 P31749 4/20 0.36
BRPF1 P55201 2/20 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
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5380778 0.93 MAPK1 (0.37) MAPK1HSP90AA1HSP90AB1AKT1BRPF1
SCHEMBL14428802 0.93 AKT1 (0.44) MAPK1AKT1ALDH1A1SMN1; SMN2
SCHEMBL14428800 0.91 MAPT (0.42) MAPK1HSP90AA1HSP90AB1AKT1ALDH1A1
SCHEMBL14440557 0.85 MAPT (0.38) MAPK1HSP90AA1HSP90AB1AKT1ALDH1A1
SCHEMBL5400741 0.85 AKT1 (0.44) MAPK1AKT1ALDH1A1SMN1; SMN2
SCHEMBL5396837 0.83 CA1 (0.43) MAPK1HSP90AA1HSP90AB1AKT1ALDH1A1
SCHEMBL14428801 0.83 CA1 (0.43) MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL5400308 0.83 DEGS1 (0.40) HSP90AA1HDAC3HDAC1POLBNPSR1
SCHEMBL5392619 0.82 BRPF1 (0.46) BRPF1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL14504496 0.81 BRPF1 (0.45) MAPK1HSP90AA1HSP90AB1BRPF1HDAC1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3725/4885HSP90AA1 1591/4885HSP90AB1 1504/4885

“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.