SCHEMBL5380975

SCHEMBL5380975

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
MAPT P10636 7/20 0.39
EGFR P00533 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
DPP4 P27487 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
KCNMA1 Q12791 1/20 0.35
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
PKM P14618 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
APOBEC3A P31941 1/20 0.32

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
SCHEMBL14503536 1.00 GAA (0.40) GAAMAPTEGFRALDH1A1SMN1; SMN2
SCHEMBL5383747 0.84 MAPT (0.50) GAAMAPTALDH1A1SMN1; SMN2AKR1C3
SCHEMBL5393000 0.80 HTT (0.45) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5380654 0.78 GAA (0.58) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5387698 0.78 GAA (0.43) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5391322 0.77 KAT2B (0.42) GAAMAPTKMT2AMEN1MAPK1
SCHEMBL5395733 0.76 MAPT (0.42) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5383031 0.76 ALDH1A1 (0.46) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5384673 0.76 P2RX1 (0.42) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5392801 0.75 LMNA (0.43) GAAMAPTSMN1; SMN2KMT2AMEN1

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-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 GAA 395/4885MAPT 2536/4885EGFR 1242/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD GAA 778/4885MAPT 2630/4885EGFR 1690/4885

“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.