SCHEMBL267449

SCHEMBL267449

CCCCC/C(=N\OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 11/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 3/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
AHR P35869 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL19795458 0.89 MAPT (0.44) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL17069975 0.89 MAPT (0.44) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9962627 0.84 MAPT (0.45) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL28941350 0.80 CES2 (0.39) MAPTSMN1; SMN2LMNA
SCHEMBL149908 0.80 CES2 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL13009339 0.80 CES2 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL149909 0.80 CES2 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12021972 0.79 CES2 (0.48) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22729193 0.79 CES2 (0.48) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL103376 0.79 CES2 (0.48) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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
EP-2128132-B1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORP (JP) 2014-01-15 EP disclosed
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

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 NPC1 3371/4885RAB9A 4056/4885MAPT 4252/4885

“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.