SCHEMBL6772040

SCHEMBL6772040

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2CO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
WDR5 P61964 3/20 0.40
CYP2C9 P11712 2/20 0.40
BRS3 P32247 2/20 0.40
ATP1A1 P05023 2/20 0.40
ATP1B1 P05026 2/20 0.40
ATP1A3 P13637 2/20 0.40
ATP1B2 P14415 2/20 0.40
ATP4A P20648 2/20 0.40
ATP1A2 P50993 2/20 0.40
ATP4B P51164 2/20 0.40
ATP1B3 P54709 2/20 0.40
FXYD2 P54710 2/20 0.40
ATP1A4 Q13733 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DDAH1 O94760 1/20 0.40
ABCB11 O95342 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
SCHEMBL6768384 1.00 KMT2A (0.41) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL6771448 0.93 KMT2A (0.43) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL6773081 0.93 KMT2A (0.43) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL6777277 0.88 KMT2A (0.36) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL29474363 0.86 KMT2A (0.43) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL7844981 0.86 KMT2A (0.43) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL10512130 0.85 KMT2A (0.41) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL16349245 0.85 TDP1 (0.38) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL9264132 0.85 KMT2A (0.40) KMT2AMEN1WDR5CYP2C9BRS3
SCHEMBL7841182 0.84 KMT2A (0.42) KMT2AMEN1WDR5CYP2C9BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673819-B2 NITRIC OXIDE RELEASING COMPOUND ASTRAZENECA AB (SE) 2004-01-06 US claimed
US-20020111370-A1 Compounds useful as antibacterial agents ASTRAZENECA AB (SE) 2002-08-15 US claimed
US-6673819-B2 NITRIC OXIDE RELEASING COMPOUND ASTRAZENECA AB (SE) 2004-01-06 US disclosed
EP-1370551-A2 NEW COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2003-12-17 EP disclosed
US-20020111370-A1 Compounds useful as antibacterial agents ASTRAZENECA AB (SE) 2002-08-15 US disclosed
WO-2002000166-A2 NEW COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-01-03 WO 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-20020111370-A1 Compounds useful as antibacterial agents NOS1, NOS2, PTGS1 KMT2A 4205/4885MEN1 2295/4885WDR5 3682/4885

“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.