SCHEMBL5383371

SCHEMBL5383371

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(O)cc4O)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
AMY1A P0DUB6 1/20 0.36
SCN9A Q15858 3/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
ALOX15 P16050 1/20 0.35
CAMK1D Q8IU85 3/20 0.34
IDH2 P48735 2/20 0.34
SYK P43405 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MEN1 O00255 1/20 0.32
PPIA P62937 1/20 0.32

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
SCHEMBL5381117 1.00 KMT2A (0.36) KMT2AAMY1ASCN9ATSHRSMN1; SMN2
SCHEMBL14440899 0.93 IDH2 (0.45) CAMK1DIDH2SYK
SCHEMBL5391846 0.92 SCN9A (0.36) KMT2ASCN9ATSHRSMN1; SMN2CAMK1D
SCHEMBL5392146 0.92 ALOX15 (0.32) KMT2AAMY1ASCN9ATSHRSMN1; SMN2
SCHEMBL5375652 0.91 SCN9A (0.41) SCN9ATSHRSMN1; SMN2ALOX15CA12
SCHEMBL5376597 0.91 PLG (0.41) KMT2ASCN9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5397163 0.91 SCN9A (0.37) SCN9ATSHRSMN1; SMN2IDH2CA12
SCHEMBL5386641 0.91 PLG (0.41) KMT2ASCN9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL14503827 0.91 SCN9A (0.41) SCN9ATSHRSMN1; SMN2ALOX15CA12
SCHEMBL5392718 0.90 ALOX15 (0.42) KMT2ASMN1; SMN2ALDH1A1GFERALOX15

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 10 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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 KMT2A 3738/4885AMY1A 3019/4885SCN9A 4552/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KMT2A 3545/4885AMY1A 2628/4885SCN9A 4783/4885

“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.