SCHEMBL5381111

SCHEMBL5381111

N[C@@H]1C[C@H](N)CN(c2nc(NNc3ccc(Cl)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
HTR3A P46098 1/20 0.38
GBA1 P04062 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5387512 0.87 HTR3A (0.34) MEN1KMT2AHTTHTR3AGAA
SCHEMBL5387483 0.87 MAPT (0.41) MEN1KMT2ACHRNB4CHRNA3CA12
SCHEMBL5380938 0.87 LMNA (0.44) MEN1KMT2AHTTGBA1CHRNB4
SCHEMBL5387045 0.87 LMNA (0.44) KMT2AHTTGBA1CA12CA1
SCHEMBL5383975 0.85 PAK4 (0.41) KMT2AHTR3AGBA1CHRNB4CHRNA3
SCHEMBL5453080 0.84 MEN1 (0.47) MEN1KMT2AGBA1CHRNB4CHRNA3
SCHEMBL5377934 0.84 MEN1 (0.47) MEN1KMT2AGBA1CHRNB4CHRNA3
SCHEMBL5388259 0.84 IDH2 (0.44) CHRNB4CHRNA3CA1CA2IDH2
SCHEMBL5382489 0.83 HTR3A (0.39) MEN1KMT2AHTTHTR3AGBA1
SCHEMBL5382615 0.80 GBA1 (0.38) MEN1KMT2AHTTGBA1SMN1; 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 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 3738/4885HTT 949/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MEN1 2632/4885KMT2A 3545/4885HTT 516/4885

“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.