SCHEMBL5382823

SCHEMBL5382823

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)CO)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.36
IDH2 P48735 3/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
MEN1 O00255 1/20 0.34
CAMK1D Q8IU85 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
SCHEMBL5382840 1.00 BACE1 (0.36) BACE1IDH2TSHRSMN1; SMN2PTGS2
SCHEMBL5380883 0.91 GAA (0.38) BACE1IDH2TSHRSMN1; SMN2PTGS2
SCHEMBL5400967 0.91 MEN1 (0.39) BACE1IDH2TSHRSMN1; SMN2PTGS2
SCHEMBL5383855 0.89 ALDH1A1 (0.39) BACE1IDH2SMN1; SMN2PTGS2RAD52
SCHEMBL5382877 0.89 TSHR (0.41) BACE1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL5382880 0.89 TSHR (0.41) BACE1TSHRSMN1; SMN2GAAKMT2A
SCHEMBL5387743 0.88 SLC2A1 (0.44) BACE1GAAKMT2ACA1CA2
SCHEMBL5432333 0.88 IKBKB (0.37) BACE1SMN1; SMN2PTGS2RAD52RECQL
SCHEMBL5450599 0.88 IKBKB (0.37) BACE1IDH2SMN1; SMN2PTGS2RAD52
SCHEMBL5396035 0.88 RAD52 (0.43) IDH2TSHRSMN1; SMN2PTGS2RAD52

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 BACE1 2514/4885IDH2 3327/4885TSHR 4325/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD BACE1 3134/4885IDH2 3493/4885TSHR 3906/4885

“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.