SCHEMBL5387743

SCHEMBL5387743

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)Cc4ccccc4)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TGM2 P21980 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
BACE1 P56817 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NR4A1 P22736 1/20 0.38
KCNQ2 O43526 1/20 0.38
PKM P14618 1/20 0.38
CRACR2A Q9BSW2 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL5380883 0.89 GAA (0.38) KMT2AMEN1BACE1GAAPOLB
SCHEMBL5382840 0.88 BACE1 (0.36) KMT2AMEN1CA1CA2BACE1
SCHEMBL5382823 0.88 BACE1 (0.36) KMT2AMEN1CA1CA2BACE1
SCHEMBL5400967 0.87 MEN1 (0.39) KMT2AMEN1BACE1KDM4EALDH1A1
SCHEMBL5392542 0.87 KMT2A (0.42) KMT2AMEN1CA1CA2BACE1
SCHEMBL5383855 0.86 ALDH1A1 (0.39) SLC2A1CA1CA2BACE1KDM4E
SCHEMBL5376506 0.85 MAPT (0.45) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL14503603 0.85 SLC2A1 (0.56) SLC2A1KMT2AMEN1CA1CA2
SCHEMBL5432333 0.85 IKBKB (0.37) BACE1GAAALDH1A1KCNQ2IKBKB
SCHEMBL5450599 0.85 IKBKB (0.37) CA1CA2BACE1MAPTIKBKB

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 SLC2A1 4526/4885KMT2A 3738/4885MEN1 3779/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SLC2A1 4524/4885KMT2A 3545/4885MEN1 2632/4885

“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.