SCHEMBL2363669

SCHEMBL2363669

O=C(CC/C(=N/O)OC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)OC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SGMS2 Q8NHU3 3/20 0.41
PTGER1 P34995 2/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2295910 0.91 HTT (0.51) HTTSGMS2PTGER1NPC1GAA
SCHEMBL2292815 0.78 SMN1; SMN2 (0.49) NPC1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL21022925 0.76 ALDH1A1 (0.59) HTTSGMS2PTGER1NPC1MEN1
SCHEMBL1305662 0.75 HPGD (0.57) HTTSGMS2PTGER1NPC1GAA
SCHEMBL1305739 0.74 PTGER1 (0.61) HTTSGMS2PTGER1NPC1GAA
SCHEMBL2289029 0.74 CAPN1 (0.37) HTTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL9244293 0.73 AKR1C3 (0.44) GAAMEN1KMT2ANPSR1L3MBTL1
SCHEMBL2362641 0.72 RAB9A (0.41) HTTNPC1GAAMEN1KMT2A
SCHEMBL2363363 0.72 CES2 (0.41) HTTGAAKMT2AL3MBTL1KDM4E
SCHEMBL6476026 0.72 SGMS2 (0.52) HTTSGMS2PTGER1NPC1GAA

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 2 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

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 1933/4885PTGER1 2151/4885

“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.