SCHEMBL268146

SCHEMBL268146

CC(=O)O/N=C(/C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
PDE7A Q13946 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL267729 0.85 CES1 (0.52) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL9962611 0.83 KMT2A (0.45) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL19999213 0.78 CES2 (0.42) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL17069952 0.78 CES2 (0.42) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL17069958 0.78 CES2 (0.42) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL267775 0.78 MAPT (0.43) MAPTNPC1RAB9APDE7ACES2
SCHEMBL19999208 0.78 CES2 (0.42) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL17069954 0.76 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL19999206 0.76 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL17069942 0.76 NPC1 (0.54) MAPTNPC1RAB9AALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133656-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-03-13 US disclosed
US-8133656-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-03-25 US disclosed
US-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-03-25 US disclosed
EP-2128132-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR COMPRISING THE COMPOUND Adeka Corporation (JP) 2009-12-02 EP 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-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME CYP4A11, OXER1, NR2E3 MAPT 4252/4885NPC1 3371/4885RAB9A 4056/4885

“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.