SCHEMBL5376325

SCHEMBL5376325

COc1ccc(Nc2ccc(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 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 10/20 0.53
MAPK1 P28482 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
GAA P10253 1/20 0.50
GBA1 P04062 1/20 0.49
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
GALR2 O43603 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5390852 0.99 MEN1 (0.61) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5453080 0.87 MEN1 (0.47) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5377934 0.87 MEN1 (0.47) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5375961 0.86 MAPT (0.50) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5390817 0.85 MEN1 (0.46) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5376199 0.84 LMNA (0.57) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL14428525 0.84 LMNA (0.58) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5382864 0.84 MEN1 (0.47) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5396957 0.84 LMNA (0.48) MEN1KMT2AMAPTMAPK1L3MBTL1
SCHEMBL5400612 0.82 CTSS (0.52) MEN1KMT2ACTSLCTSBCTSS

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 MEN1 3779/4885KMT2A 3738/4885MAPT 2536/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MEN1 2632/4885KMT2A 3545/4885MAPT 2630/4885

“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.