SCHEMBL5376176

SCHEMBL5376176

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cc(Br)ccc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLAT P00750 1/20 0.47
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 2/20 0.43
TMPRSS4 Q9NRS4 1/20 0.41
SCN9A Q15858 1/20 0.40
P2RX1 P51575 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
ERBB2 P04626 1/20 0.37
LCK P06239 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5375839 0.91 PLAU (0.40) PLAUF2F10PLATALOX15
SCHEMBL14504657 0.88 P2RX1 (0.55) TMPRSS4SCN9AP2RX1CA12CA1
SCHEMBL5396786 0.88 P2RX1 (0.43) TMPRSS4SCN9AP2RX1MEN1KMT2A
SCHEMBL5396728 0.88 PLAU (0.47) PLAUF2F10PLATCYP1A2
SCHEMBL5400638 0.88 P2RX1 (0.55) TMPRSS4SCN9AP2RX1CA12CA1
SCHEMBL5390622 0.86 LMNA (0.46) PLAUF2F10PLATALOX15
SCHEMBL5376114 0.86 PLAU (0.50) PLAUF2F10PLATTMPRSS4
SCHEMBL5386403 0.84 SCN9A (0.46) SCN9AP2RX1MAPT
SCHEMBL5392718 0.84 ALOX15 (0.42) ALOX15KMT2AALDH1A1LMNACA12
SCHEMBL14504658 0.84 PTGS2 (0.54) PLAUF2F10PLATALOX15

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.