SCHEMBL30828552

SCHEMBL30828552

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.85
L3MBTL1 Q9Y468 1/20 0.85
POLB P06746 3/20 0.84
MAPT P10636 2/20 0.84
GAA P10253 1/20 0.78
MAPK1 P28482 2/20 0.74
MITF O75030 1/20 0.74
KMT2A Q03164 2/20 0.71
NT5E P21589 1/20 0.71
JAK2 O60674 1/20 0.70
TYK2 P29597 1/20 0.70
STAT3 P40763 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.65
DNMT1 P26358 1/20 0.63
DNMT3A Q9Y6K1 1/20 0.63
ROCK2 O75116 3/20 0.61
ROCK1 Q13464 3/20 0.61
MEN1 O00255 1/20 0.60
LMNA P02545 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
SCHEMBL30828582 1.00 KDM4E (0.85) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL23999623 1.00 KDM4E (0.85) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL30828563 0.95 POLB (0.77) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL23999788 0.93 POLB (0.74) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL27193253 0.93 POLB (0.74) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL14716526 0.92 KDM4E (1.00) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL12240504 0.92 POLB (1.00) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL29393952 0.91 JAK2 (0.86) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL23999634 0.89 POLB (0.68) KDM4EL3MBTL1POLBMAPTGAA
SCHEMBL27193241 0.89 POLB (0.88) KDM4EL3MBTL1POLBMAPTGAA

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 KDM4E 854/4885L3MBTL1 2234/4885POLB 1009/4885

“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.