SCHEMBL5382834

SCHEMBL5382834

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cc(Cl)cnc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CAMK1D Q8IU85 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
P2RX1 P51575 1/20 0.37
TSHR P16473 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
AURKA O14965 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL5433935 0.90 SCN9A (0.42) SCN9ACAMK1DSMN1; SMN2TSHRIRAK4
SCHEMBL5387001 0.90 SCN9A (0.41) SCN9ACA12CA1CA2CA9
SCHEMBL5433955 0.90 SCN9A (0.42) SCN9ACAMK1DSMN1; SMN2TSHRIRAK4
SCHEMBL5400638 0.87 P2RX1 (0.55) SCN9ACA12CA1CA2CA9
SCHEMBL14504657 0.87 P2RX1 (0.55) SCN9ACA12CA1CA2CA9
SCHEMBL5382253 0.85 KLKB1 (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL14504580 0.84 CA12 (0.52) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5378015 0.83 KDM6A (0.42) SMN1; SMN2TSHR
SCHEMBL5381063 0.83 KLKB1 (0.44) SCN9ACA12CA1CA2CA9
SCHEMBL5391841 0.81 KLKB1 (0.50) CA12CA1CA2CA9SMN1; 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 SCN9A 4552/4885CA12 4832/4885CA1 4865/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885CA12 4536/4885CA1 4538/4885

“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.