SCHEMBL30828573

SCHEMBL30828573

O=C(Nc1ccc(-c2ccncc2)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccncc4)cc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.78
KDM4E B2RXH2 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
POLB P06746 2/20 0.77
STAT3 P40763 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
HDAC1 Q13547 2/20 0.67
HDAC6 Q9UBN7 1/20 0.67
NT5E P21589 1/20 0.66
KMT2A Q03164 1/20 0.66
MAPK1 P28482 1/20 0.66
PTPN1 P18031 4/20 0.65
HTT P42858 1/20 0.65
JAK2 O60674 1/20 0.65
TYK2 P29597 1/20 0.65
MAPT P10636 1/20 0.63
HDAC3 O15379 1/20 0.59
HDAC2 Q92769 1/20 0.59
DEGS1 O15121 1/20 0.59

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
SCHEMBL30828578 1.00 GAA (0.78) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL23760600 0.96 KDM4E (0.85) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL23096186 0.96 KDM4E (0.85) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL23734986 0.96 GAA (0.85) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL19241698 0.94 KDM4E (0.88) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL19241697 0.94 GAA (0.88) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL30828563 0.91 POLB (0.77) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL6448103 0.91 POLB (0.81) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL5934260 0.89 TRPV1 (0.68) GAAKDM4EL3MBTL1POLBSTAT3
SCHEMBL19242053 0.88 GAA (1.00) GAAKDM4EL3MBTL1POLBSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 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-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 GAA 1129/4885KDM4E 854/4885L3MBTL1 2234/4885

“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.