SCHEMBL5886228

SCHEMBL5886228

Cc1c(O)c([N+](=O)[O-])cc2c1Oc1c(cc([N+](=O)[O-])c(O)c1C)C21OC(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
RECQL P46063 2/20 0.54
BLM P54132 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
PRMT1 Q99873 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
USP2 O75604 2/20 0.54
THRB P10828 1/20 0.54
CDK2 P24941 1/20 0.54
CHAT P28329 1/20 0.54
BLVRB P30043 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
GNG2 P59768 1/20 0.52
GNB1 P62873 1/20 0.52
MAPT P10636 6/20 0.49
LMNA P02545 6/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL2844906 0.86 PRMT1 (0.70) MEN1KMT2ATDP1RECQLBLM
SCHEMBL2681408 0.86 PRMT1 (0.70) MEN1KMT2ATDP1RECQLBLM
SCHEMBL31292282 0.86 PRMT1 (0.70) MEN1KMT2ATDP1RECQLBLM
SCHEMBL7856216 0.85 PRMT1 (0.69) MEN1KMT2ATDP1RECQLBLM
SCHEMBL14750826 0.83 MEN1 (0.61) MEN1KMT2ATDP1RECQLBLM
SCHEMBL25113777 0.81 MEN1 (0.77) MEN1KMT2ATDP1RECQLBLM
SCHEMBL5886179 0.81 MEN1 (0.58) MEN1KMT2ATDP1RECQLBLM
SCHEMBL4960577 0.80 MAPT (0.62) MEN1KMT2ATDP1RECQLBLM
SCHEMBL17278439 0.78 PRMT1 (0.59) MEN1KMT2ATDP1RECQLBLM
SCHEMBL4201826 0.77 MAPT (0.59) MEN1KMT2ATDP1RECQLBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041821-B2 substituted 3-hydroxy-6-oxo-9-phenyl anthracene, acridine, xanthene, or thioxanthene zinc chelating compounds; fluorescent labels for recombinant fusion proteins; nontoxic alternative to nickel based labeling systems; nonreducing environments, cell surfaces THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-09 US disclosed
US-6933384-B2 Synthetic molecules for labeling histidine-rich proteins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-08-23 US disclosed
US-20040241749-A1 Synthetic molecules for labeling histidine-rich proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-02 US disclosed
US-20040143122-A1 Synthetic molecules for labeling histidine-rich proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-22 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-20040143122-A1 Synthetic molecules for labeling histidine-rich proteins SLC39A14, SLC39A3, SLC30A6 MEN1 2204/4885KMT2A 2029/4885TDP1 4287/4885

“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.