SCHEMBL2363364

SCHEMBL2363364

O=C(O[N+]1(O)C(=O)CCC1=O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 5/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL2362643 0.81 SMN1; SMN2 (0.46) CES2CES1ALDH1A1KMT2ALMNA
SCHEMBL2362867 0.79 NAPRT (0.49) ALDH1A1ALOX15KMT2ALMNATDP1
SCHEMBL5195785 0.79 CYP3A4 (0.34) ALDH1A1MAPTHPGD
SCHEMBL9244299 0.78 AKR1C3 (0.47) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL1078138 0.78 KMT2A (0.35) ALDH1A1KMT2ALMNAGAAMEN1
SCHEMBL2356951 0.76 LMNA (0.47) CES2CES1ALDH1A1KMT2ALMNA
SCHEMBL2363487 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMEN1TDP1
SCHEMBL16670077 0.73 CES2 (0.41) CES2CES1KMT2AMEN1MAPK1
SCHEMBL4558550 0.73 CYP3A4 (0.30)
SCHEMBL2363693 0.73 LMNA (0.49) ALDH1A1KMT2ALMNAMEN1TDP1

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 CES2 2837/4885CES1 3795/4885ALDH1A1 1972/4885

“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.