SCHEMBL5387722

SCHEMBL5387722

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cccc(O)c4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.43
KLK1 P06870 4/20 0.41
KLK5 Q9Y337 2/20 0.41
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
KDM6A O15550 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM5C P41229 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
KDM2A Q9Y2K7 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
SCHEMBL5383176 0.92 TERT (0.53) TERTKDM4E
SCHEMBL5390622 0.92 LMNA (0.46) KLK1KLK5CA12CA1CA2
SCHEMBL5381130 0.91 PLAU (0.48) KLK1KLK5RAD52RECQLBLM
SCHEMBL5391841 0.90 KLKB1 (0.50) KLK1KLK5RAD52RECQLBLM
SCHEMBL5382983 0.89 TERT (0.40) TERTKLK1KLK5
SCHEMBL14429009 0.88 RAD52 (0.40) KLK1RAD52RECQLBLMCA12
SCHEMBL5397134 0.88 KLKB1 (0.53) KLK1KLK5RECQLBLMKDM4E
SCHEMBL5387575 0.87 PLG (0.52) KLK1KDM6AKDM4EKDM6BMAOA
SCHEMBL5384146 0.87 TERT (0.38) TERTKLK1KLK5
SCHEMBL5388910 0.87 P2RX1 (0.44)

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 TERT 2199/4885KLK1 2917/4885KLK5 826/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TERT 2384/4885KLK1 2416/4885KLK5 942/4885

“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.