SCHEMBL30828600

SCHEMBL30828600

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
POLB P06746 6/20 0.67
MAPK1 P28482 2/20 0.67
MITF O75030 1/20 0.67
KMT2A Q03164 9/20 0.62
MEN1 O00255 7/20 0.62
USP2 O75604 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
BLM P54132 1/20 0.62
UBE2N P61088 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
GAA P10253 3/20 0.62
HTT P42858 2/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
THRB P10828 1/20 0.59
MCL1 Q07820 1/20 0.59
TDP1 Q9NUW8 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
SCHEMBL27193315 0.83 KMT2A (0.56) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL8122501 0.82 SMN1; SMN2 (0.70) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL1886207 0.80 MAPT (1.00) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL12218027 0.80 MAPT (1.00) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL30828572 0.79 KMT2A (0.69) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL30828583 0.79 MAPT (0.59) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL30828551 0.79 POLB (0.59) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL23999623 0.78 KDM4E (0.85) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL30828582 0.78 KDM4E (0.85) MAPTPOLBMAPK1MITFKMT2A
SCHEMBL30828552 0.78 KDM4E (0.85) MAPTPOLBMAPK1MITFKMT2A

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 MAPT 3344/4885POLB 1009/4885MAPK1 2049/4885

“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.