SCHEMBL5382253

SCHEMBL5382253

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.48
PLAU P00749 2/20 0.47
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
P2RX1 P51575 3/20 0.44
ALOX15 P16050 1/20 0.43
PNLIP P16233 1/20 0.42
SCN9A Q15858 3/20 0.42
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5381063 0.95 KLKB1 (0.44) KLKB1PLAUF2F10PLG
SCHEMBL5400638 0.92 P2RX1 (0.55) CA12CA1CA2CA9P2RX1
SCHEMBL14504657 0.92 P2RX1 (0.55) CA12CA1CA2CA9P2RX1
SCHEMBL5378867 0.92 KLKB1 (0.43) KLKB1PLAUF2F10PLG
SCHEMBL14503824 0.92 KLKB1 (0.43) KLKB1PLAUF2F10PLG
SCHEMBL5380725 0.91 SCN9A (0.43) KLKB1PLAUF2F10PLG
SCHEMBL14503827 0.91 SCN9A (0.41) KLKB1PLAUF2F10PLG
SCHEMBL5375652 0.91 SCN9A (0.41) KLKB1PLAUF2F10PLG
SCHEMBL5392718 0.90 ALOX15 (0.42) KLKB1CA12CA1CA2CA9
SCHEMBL5383083 0.90 SCN9A (0.42) KLKB1PLAUF2F10PLG

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 8 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-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 KLKB1 4506/4885PLAU 4327/4885F2 3455/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KLKB1 3825/4885PLAU 4124/4885F2 3225/4885

“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.