SCHEMBL2698554

SCHEMBL2698554

CC(=O)c1ccc(OCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 1/20 0.57
ALDH1A1 P00352 6/20 0.54
LMNA P02545 2/20 0.54
PLA2G4B P0C869 1/20 0.53
PRSS1 P07477 4/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.48
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL531797 0.86 POLB (0.58) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL2339687 0.85 POLB (0.73) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL2213228 0.85 PRSS1 (0.56) KMT2APOLBALDH1A1LMNAPLA2G4B
SCHEMBL27732122 0.84 POLB (0.58) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL9258258 0.83 POLB (0.60) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL29368594 0.82 ALDH1A1 (0.63) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL965943 0.82 ALDH1A1 (0.63) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL17395859 0.82 ALDH1A1 (0.59) KMT2APOLBALDH1A1LMNAPRSS1
SCHEMBL2056251 0.82 THRA (0.62) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL10788762 0.81 MEN1 (0.66) KMT2AMEN1ALDH1A1LMNAMAPT

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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (2 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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMT2A 3561/4885MEN1 2771/4885POLB 449/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMT2A 3561/4885MEN1 2771/4885POLB 449/4885

“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.