SCHEMBL2295910

SCHEMBL2295910

O=C(CC/C(=N/O)OC(=O)c1ccccc1OCc1ccccc1)OC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SGMS2 Q8NHU3 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.44
PTGER1 P34995 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL2363669 0.91 HTT (0.42) HTTSGMS2MEN1KMT2ASMN1; SMN2
SCHEMBL2289029 0.82 CAPN1 (0.37) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2292815 0.82 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2NPC1L3MBTL1
SCHEMBL8025089 0.80 HTT (0.59) HTTSGMS2MEN1KMT2ASMN1; SMN2
SCHEMBL2844752 0.78 HTT (0.64) HTTSGMS2MEN1KMT2ASMN1; SMN2
SCHEMBL1006768 0.78 HTT (0.64) HTTSGMS2MEN1KMT2ASMN1; SMN2
SCHEMBL9244293 0.76 AKR1C3 (0.44) MEN1KMT2ANPSR1GAAL3MBTL1
SCHEMBL2363363 0.76 CES2 (0.41) HTTKMT2AGAAL3MBTL1ALDH1A1
SCHEMBL2362641 0.76 RAB9A (0.41) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2356948 0.75 PRSS1 (0.42) KMT2AGAAL3MBTL1ALDH1A1LMNA

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 HTT 3677/4885SGMS2 1933/4885MEN1 1924/4885

“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.