SCHEMBL14429009

SCHEMBL14429009

Cc1c(O)ccc(C(=O)Nc2ccc(Nc3nc(N4C[C@H](N)C[C@H](N)C4)nc(N4C[C@H](N)C[C@H](N)C4)n3)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PTGS2 P35354 2/20 0.38
CA12 O43570 8/20 0.37
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA9 Q16790 8/20 0.37
KDM6A O15550 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL5401162 0.90 SCN9A (0.37) RAD52RECQLBLMPTGS2SCN9A
SCHEMBL5401187 0.90 SCN9A (0.37) RAD52RECQLBLMPTGS2SCN9A
SCHEMBL5387722 0.88 TERT (0.43) RAD52RECQLBLMPTGS2CA12
SCHEMBL5381130 0.87 PLAU (0.48) RAD52RECQLBLMPTGS2SMN1; SMN2
SCHEMBL5391133 0.86 PLG (0.48) RAD52RECQLBLMPTGS2CA12
SCHEMBL5396728 0.86 PLAU (0.47) RAD52RECQLBLMPTGS2CA12
SCHEMBL5384002 0.85 PTGS2 (0.39) RAD52RECQLBLMPTGS2CA12
SCHEMBL5376253 0.85 PTGS2 (0.37) RAD52RECQLBLMPTGS2CA12
SCHEMBL5447053 0.84 PLAU (0.39) RAD52RECQLBLMPTGS2CA12
SCHEMBL5381118 0.84 RAD52 (0.38) RAD52RECQLBLMPTGS2CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 RAD52 2842/4885RECQL 1817/4885BLM 1391/4885

“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.