SCHEMBL5400944

SCHEMBL5400944

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)Nc4ccccc4F)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
AURKA O14965 1/20 0.38
KLK7 P49862 1/20 0.38
EPHB3 P54753 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.37
AKR1C3 P42330 1/20 0.37
PIM1 P11309 1/20 0.37
LMNA P02545 1/20 0.37
SCN9A Q15858 4/20 0.37
KLK1 P06870 1/20 0.37

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
SCHEMBL5383230 0.89 SCN9A (0.43) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5375803 0.89 AURKA (0.44) BACE1POLBAURKAEPHB3AR
SCHEMBL5381090 0.88 LMNA (0.41) KDM4ENPC1RAB9AKLK7MEN1
SCHEMBL5383878 0.88 SCN9A (0.42) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5397163 0.87 SCN9A (0.37) KDM4ECHRNB4CHRNA3KLK7SCN9A
SCHEMBL5396101 0.87 SCN9A (0.39) L3MBTL1MEN1KMT2AAKR1C3SCN9A
SCHEMBL5383376 0.87 CA12 (0.42) KDM4ENPC1RAB9ACHRNB4CHRNA3
SCHEMBL5376337 0.86 AURKA (0.39) BACE1AURKAEPHB3SCN9AIDH2
SCHEMBL5383371 0.85 KMT2A (0.36) MEN1KMT2ASCN9AIDH2
SCHEMBL5381117 0.85 KMT2A (0.36) MEN1KMT2ASCN9AIDH2

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 BACE1 2514/4885KDM4E 2224/4885NPC1 3226/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD BACE1 3134/4885KDM4E 2873/4885NPC1 2574/4885

“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.