SCHEMBL2362641

SCHEMBL2362641

O=C(CC/C(=N/O)OC(=O)c1ccccc1Cl)OC(=O)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 4/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2363363 0.82 CES2 (0.41) L3MBTL1GAAALDH1A1CES2CES1
SCHEMBL2363692 0.81 POLB (0.48) SMN1; SMN2PKML3MBTL1ALDH1A1POLB
SCHEMBL9244293 0.80 AKR1C3 (0.44) L3MBTL1GAAALDH1A1MEN1LMNA
SCHEMBL5195782 0.79 CYP3A4 (0.33) HPGDALDH1A1
SCHEMBL2356948 0.78 PRSS1 (0.42) RAB9APKML3MBTL1GAAALDH1A1
SCHEMBL10539582 0.78 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1PKML3MBTL1
SCHEMBL2363486 0.78 CTSD (0.44) RAB9ASMN1; SMN2NPC1L3MBTL1GAA
SCHEMBL2289029 0.76 CAPN1 (0.37) SMN1; SMN2L3MBTL1HPGDGAAALDH1A1
SCHEMBL2295910 0.76 HTT (0.51) SMN1; SMN2NPC1L3MBTL1GAAALDH1A1
SCHEMBL3755789 0.76 CES2 (0.50) RAB9ASMN1; SMN2NPC1PKML3MBTL1

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 RAB9A 602/4885SMN1; SMN2 4231/4885NPC1 1199/4885

“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.