SCHEMBL5376474

SCHEMBL5376474

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)CO)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PTGS2 P35354 2/20 0.42
CA12 O43570 8/20 0.40
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 8/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
GBA1 P04062 2/20 0.39
SLC2A1 P11166 2/20 0.39
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.86 BACE1 (0.36) RAD52RECQLBLMPTGS2CA12
SCHEMBL5382823 0.86 BACE1 (0.36) RAD52RECQLBLMPTGS2CA12
SCHEMBL5376174 0.85 RAD52 (0.57) RAD52RECQLBLMPTGS2CA12
SCHEMBL5382877 0.85 TSHR (0.41) CA12CA1CA2CA9MEN1
SCHEMBL5382880 0.85 TSHR (0.41) CA12CA1CA2CA9MEN1
SCHEMBL5392664 0.85 KMT2A (0.48) RAD52RECQLBLMPTGS2CA12
SCHEMBL5383968 0.84 KMT2A (0.44) RAD52RECQLBLMPTGS2CA12
SCHEMBL5380601 0.84 KMT2A (0.51) RAD52RECQLBLMPTGS2CA12
SCHEMBL5382246 0.83 CA12 (0.43) RAD52RECQLBLMPTGS2CA12
SCHEMBL5381124 0.82 CHRNA7 (0.42) RAD52RECQLBLMPTGS2CA12

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 RAD52 2842/4885RECQL 1817/4885BLM 1391/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD RAD52 2057/4885RECQL 1254/4885BLM 674/4885

“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.