SCHEMBL5382864

SCHEMBL5382864

COc1ccc(NC(=O)CC(=O)c2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SLC2A1 P11166 2/20 0.46
GBA1 P04062 1/20 0.43
MAPT P10636 3/20 0.42
CXCR6 O00574 1/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 2/20 0.41
KCNH2 Q12809 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
SCN9A Q15858 2/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5390817 0.99 MEN1 (0.46) MEN1KMT2ASLC2A1GBA1MAPT
SCHEMBL5392498 0.89 BACE1 (0.49) MEN1KMT2AGBA1MAPTMAPK1
SCHEMBL5383968 0.88 KMT2A (0.44) MEN1KMT2ASLC2A1MAPTSMN1; SMN2
SCHEMBL5380601 0.88 KMT2A (0.51) MEN1KMT2AGBA1MAPTSMN1; SMN2
SCHEMBL5382246 0.87 CA12 (0.43) MEN1KMT2AMAPTSMN1; SMN2PTGS2
SCHEMBL5383051 0.87 PTGS2 (0.49) CXCR6PTGS2
SCHEMBL5392664 0.87 KMT2A (0.48) MEN1KMT2ASLC2A1MAPTSMN1; SMN2
SCHEMBL5385125 0.87 PTGS2 (0.40) MEN1KMT2ASLC2A1MAPTPTGS2
SCHEMBL5384224 0.86 KMT2A (0.42) MEN1KMT2ASLC2A1MAPTSMN1; SMN2
SCHEMBL5447267 0.85 CA1 (0.51) SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US claimed
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 MEN1 3779/4885KMT2A 3738/4885SLC2A1 4526/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MEN1 2632/4885KMT2A 3545/4885SLC2A1 4524/4885

“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.