SCHEMBL5453080

SCHEMBL5453080

COc1ccc(NNc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 6/20 0.42
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GALR2 O43603 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GBA1 P04062 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 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
SCHEMBL5377934 1.00 MEN1 (0.47) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5390852 0.88 MEN1 (0.61) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5376325 0.87 MEN1 (0.60) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5380938 0.85 LMNA (0.44) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL5381111 0.84 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPSR1GBA1
SCHEMBL5387483 0.83 MAPT (0.41) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL5387045 0.82 LMNA (0.44) KMT2AMAPTSMN1; SMN2TDP1NPSR1
SCHEMBL5383927 0.81 APP (0.45) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL5388259 0.80 IDH2 (0.44) MAPTCTSSCTSKCHRNB4CHRNA3
SCHEMBL14503217 0.79 GALR2 (0.60) MEN1KMT2AMAPTMAPK1SMN1; 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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.