SCHEMBL5397134

SCHEMBL5397134

COc1cccc(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 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.53
KLK1 P06870 4/20 0.50
KLK5 Q9Y337 4/20 0.50
CNR2 P34972 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
AHR P35869 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CCR6 P51684 1/20 0.40
BLM P54132 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
SCHEMBL5387565 0.90 KLKB1 (0.43) KLKB1KLK1KLK5CNR2MAPT
SCHEMBL5381130 0.89 PLAU (0.48) KLK1KLK5MAPTSMN1; SMN2NPC1
SCHEMBL5392555 0.88 KLK1 (0.45) KLKB1KLK1KLK5MAPTSMN1; SMN2
SCHEMBL5395802 0.88 PTGS2 (0.40) KLKB1KLK1KLK5MAPTSMN1; SMN2
SCHEMBL5387722 0.88 TERT (0.43) KLKB1KLK1KLK5KDM4ERECQL
SCHEMBL5387678 0.87 GAA (0.44) MAPTSMN1; SMN2RAB9AGFERTSHR
SCHEMBL5387702 0.87 GAA (0.44) MAPTSMN1; SMN2RAB9AGFERTSHR
SCHEMBL5391841 0.86 KLKB1 (0.50) KLKB1KLK1KLK5MAPTSMN1; SMN2
SCHEMBL14504906 0.85 MAPT (0.56) KLKB1KLK1KLK5MAPTSMN1; SMN2
SCHEMBL5390622 0.83 LMNA (0.46) KLK1KLK5MAPTSMN1; SMN2NPC1

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 KLKB1 4506/4885KLK1 2917/4885KLK5 826/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD KLKB1 3825/4885KLK1 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.