SCHEMBL5458359

SCHEMBL5458359

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4nc5ccccc5nc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
PTGS2 P35354 2/20 0.36
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
RET P07949 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5391032 0.87 BACE1 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL5391005 0.87 BACE1 (0.37) MAPTCA12CA1CA2CA9
SCHEMBL14505037 0.83 NPSR1 (0.56) MAPTHRH3CA12CA1CA2
SCHEMBL14440051 0.83 PIM2 (0.39)
SCHEMBL5390622 0.82 LMNA (0.46) MAPTCA12CA1CA2CA9
SCHEMBL5383122 0.82 MAOA (0.48) MAPTCA12CA1CA2CA9
SCHEMBL5390779 0.82 GRM4 (0.41) RET
SCHEMBL5381160 0.80 PTPN11 (0.38)
SCHEMBL5381176 0.80 PTPN11 (0.38)
SCHEMBL5378015 0.80 KDM6A (0.42) MAPTSMN1; SMN2GAA

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 3 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

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 MAPT 2536/4885HRH3 324/4885CA12 4832/4885

“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.