SCHEMBL5376174

SCHEMBL5376174

CC(=O)Nc1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
POLB P06746 1/20 0.50
PTGS2 P35354 2/20 0.49
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
JAK2 O60674 3/20 0.41
SYK P43405 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL5391023 0.88 PTGS2 (0.65) RAD52RECQLBLMPTGS2MAPT
SCHEMBL5391417 0.86 PTGS2 (0.60) RAD52RECQLBLMPTGS2MAPT
SCHEMBL5376474 0.85 RAD52 (0.44) RAD52RECQLBLMPTGS2MAPT
SCHEMBL5396035 0.85 RAD52 (0.43) RAD52RECQLBLMPOLBPTGS2
SCHEMBL5381124 0.84 CHRNA7 (0.42) RAD52RECQLBLMPTGS2CA12
SCHEMBL5384740 0.84 PTGS2 (0.61) RAD52RECQLBLMPTGS2MAPT
SCHEMBL5383894 0.84 PTGS2 (0.50) PTGS2KITFLT3JAK2SYK
SCHEMBL5426022 0.84 LMNA (0.40) RAD52RECQLBLMPTGS2MAPT
SCHEMBL5376321 0.83 MEN1 (0.52) PTGS2GAASMN1; SMN2
SCHEMBL5426731 0.83 PTGS2 (0.39) 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 5 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
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 RAD52 2842/4885RECQL 1817/4885BLM 1391/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD RAD52 2057/4885RECQL 1254/4885BLM 674/4885

“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.