SCHEMBL5380884

SCHEMBL5380884

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc4cc5ccccc5cc4c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.47
IDH2 P48735 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
TNF P01375 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5382068 0.96 L3MBTL1 (0.50) L3MBTL1GAAIDH2LMNAMAPT
SCHEMBL5376199 0.84 LMNA (0.57) L3MBTL1GAAIDH2LMNAMAPT
SCHEMBL14428047 0.84 LMNA (0.60) L3MBTL1GAAIDH2LMNAMAPT
SCHEMBL5448044 0.84 LMNA (0.60) L3MBTL1GAAIDH2LMNAMAPT
SCHEMBL5377918 0.82 LMNA (0.51) GAAIDH2LMNAMAPTNPSR1
SCHEMBL5396957 0.81 LMNA (0.48) L3MBTL1GAALMNAMAPTMAPK1
SCHEMBL5386828 0.81 IDH2 (0.43) GAAIDH2LMNAMAPTNPC1
SCHEMBL5395892 0.81 TDP1 (0.48) IDH2LMNAHTTSMN1; SMN2TDP1
SCHEMBL5432113 0.81 MAPT (0.57) L3MBTL1GAAIDH2LMNAMAPT
SCHEMBL5388529 0.81 TDP1 (0.48) IDH2LMNAHTTSMN1; SMN2TDP1

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 L3MBTL1 2152/4885GAA 395/4885IDH2 3327/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD L3MBTL1 2101/4885GAA 778/4885IDH2 3493/4885

“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.