SCHEMBL5376337

SCHEMBL5376337

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(C(=O)Nc4cccc(Cl)c4Cl)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHB3 P54753 1/20 0.39
SCN9A Q15858 6/20 0.38
PTPN11 Q06124 1/20 0.38
GAA P10253 1/20 0.36
BACE1 P56817 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IDH2 P48735 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5375803 0.93 AURKA (0.44) AURKATSHRSMN1; SMN2EPHB3SCN9A
SCHEMBL5375652 0.88 SCN9A (0.41) TSHRSMN1; SMN2SCN9ACA12CA1
SCHEMBL14503827 0.88 SCN9A (0.41) TSHRSMN1; SMN2SCN9ACA12CA1
SCHEMBL5382726 0.87 SCN9A (0.42) TSHRSMN1; SMN2SCN9ACA12CA1
SCHEMBL5391098 0.87 KLKB1 (0.41) TSHRSMN1; SMN2SCN9ABACE1CA12
SCHEMBL5384240 0.86 TSHR (0.43) TSHRSMN1; SMN2SCN9ATP53
SCHEMBL5381063 0.86 KLKB1 (0.44) TSHRSMN1; SMN2SCN9ACA12CA1
SCHEMBL5400944 0.86 BACE1 (0.43) AURKAEPHB3SCN9ABACE1IDH2
SCHEMBL5388843 0.86 FADS1 (0.46) SMN1; SMN2SCN9A
SCHEMBL5376218 0.85 TSHR (0.39) TSHRSMN1; SMN2SCN9ACA12CA1

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 AURKA 1020/4885TSHR 4325/4885SMN1; SMN2 3797/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD AURKA 916/4885TSHR 3906/4885SMN1; SMN2 4041/4885

“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.