SCHEMBL5450599

SCHEMBL5450599

COC(=O)CC(=O)Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 6/20 0.36
SCN9A Q15858 2/20 0.35
PTGS2 P35354 2/20 0.35
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
CAMK1D Q8IU85 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDH2 P48735 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
SCHEMBL14503594 0.95 PTGS2 (0.44) SMN1; SMN2BACE1PTGS2CA12CA1
SCHEMBL5400967 0.89 MEN1 (0.39) SMN1; SMN2BACE1SCN9APTGS2RAD52
SCHEMBL5380883 0.89 GAA (0.38) SMN1; SMN2BACE1PTGS2RAD52RECQL
SCHEMBL5382823 0.88 BACE1 (0.36) SMN1; SMN2BACE1PTGS2RAD52RECQL
SCHEMBL5382840 0.88 BACE1 (0.36) SMN1; SMN2BACE1PTGS2RAD52RECQL
SCHEMBL5383855 0.88 ALDH1A1 (0.39) SMN1; SMN2BACE1SCN9APTGS2RAD52
SCHEMBL5432333 0.87 IKBKB (0.37) IKBKBSMN1; SMN2BACE1PTGS2RAD52
SCHEMBL5396035 0.86 RAD52 (0.43) SMN1; SMN2SCN9APTGS2RAD52RECQL
SCHEMBL5387709 0.85 EP300 (0.41) SMN1; SMN2CA1CA2MAPT
SCHEMBL5387743 0.85 SLC2A1 (0.44) IKBKBBACE1CA1CA2MAPT

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 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 IKBKB 3304/4885SMN1; SMN2 3797/4885BACE1 2514/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD IKBKB 3249/4885SMN1; SMN2 4041/4885BACE1 3134/4885

“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.