SCHEMBL5375839

SCHEMBL5375839

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cc(Br)ccc4O)c(O)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLAT P00750 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
CAMK1D Q8IU85 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BCL6 P41182 1/20 0.33
IDH2 P48735 1/20 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
SCHEMBL5376176 0.91 PLAU (0.47) PLAUF2F10PLATSCN9A
SCHEMBL5431888 0.89 TAS1R3 (0.41) SCN9ATMPRSS4TSHRSMN1; SMN2IDH2
SCHEMBL5382620 0.89 SCN9A (0.47) SCN9ACYP1A2TMPRSS4TSHRSMN1; SMN2
SCHEMBL5381090 0.88 LMNA (0.41) SCN9AALOX15TSHRSMN1; SMN2KMT2A
SCHEMBL5387907 0.88 SCN9A (0.46) PLAUF2F10PLATSCN9A
SCHEMBL5383203 0.86 BCL6 (0.45) SCN9ATSHRSMN1; SMN2KMT2ANPC1
SCHEMBL5381116 0.86 SCN9A (0.44) SCN9AMAPTIDH2
SCHEMBL5383371 0.85 KMT2A (0.36) SCN9AALOX15TSHRSMN1; SMN2KMT2A
SCHEMBL5381117 0.85 KMT2A (0.36) SCN9AALOX15TSHRSMN1; SMN2KMT2A
SCHEMBL14504589 0.85 PTGS2 (0.47) PLAUF2F10PLATTSHR

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 PLAU 4327/4885F2 3455/4885F10 4502/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD PLAU 4124/4885F2 3225/4885F10 4304/4885

“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.