SCHEMBL5401162

SCHEMBL5401162

Cc1c(O)ccc(C(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2O)c1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.37
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
TYK2 P29597 5/20 0.36
JAK3 P52333 2/20 0.36
CAMK1D Q8IU85 3/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.34
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PTGS2 P35354 1/20 0.33
KIF18A Q8NI77 2/20 0.33

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
SCHEMBL5401187 1.00 SCN9A (0.37) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL14429009 0.90 RAD52 (0.40) SCN9ACAMK1DSMN1; SMN2RAD52RECQL
SCHEMBL5384742 0.89 KDR (0.40) SCN9AJAK2JAK1TYK2CAMK1D
SCHEMBL5382983 0.89 TERT (0.40) SCN9ACAMK1DTSHRSMN1; SMN2BACE1
SCHEMBL5386641 0.88 PLG (0.41) SCN9ACAMK1DTSHRSMN1; SMN2
SCHEMBL5376597 0.88 PLG (0.41) SCN9ACAMK1DTSHRSMN1; SMN2
SCHEMBL5382803 0.88 SCN9A (0.36) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL5380962 0.87 SCN9A (0.38) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL5383371 0.86 KMT2A (0.36) SCN9ACAMK1DTSHRSMN1; SMN2PTGS2
SCHEMBL5381117 0.86 KMT2A (0.36) SCN9ACAMK1DTSHRSMN1; SMN2PTGS2

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 SCN9A 4552/4885JAK2 1863/4885JAK1 3545/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885JAK2 973/4885JAK1 1806/4885

“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.