SCHEMBL5387907

SCHEMBL5387907

COc1ccc(O)c(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)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
PLAU P00749 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLAT P00750 1/20 0.43
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FADS1 O60427 1/20 0.40
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL5386577 0.94 KLKB1 (0.43) SCN9APLAUF2F10PLAT
SCHEMBL5388032 0.92 MAPT (0.46) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL5376114 0.92 PLAU (0.50) SCN9APLAUF2F10PLAT
SCHEMBL5395794 0.90 SCN9A (0.44) SCN9AF10MAPTNPSR1MEN1
SCHEMBL5381116 0.90 SCN9A (0.44) SCN9AMAPTP2RX1
SCHEMBL5382620 0.88 SCN9A (0.47) SCN9AMAPTMEN1KMT2ANPC1
SCHEMBL5375839 0.88 PLAU (0.40) SCN9APLAUF2F10PLAT
SCHEMBL5431888 0.88 TAS1R3 (0.41) SCN9ASMN1; SMN2P2RX1TMPRSS4
SCHEMBL5387855 0.87 BACE1 (0.46) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL5381222 0.87 KCNMA1 (0.43) SCN9AMAPTMEN1KMT2ANPC1

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 7 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

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 4552/4885PLAU 4327/4885F2 3455/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885PLAU 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.