SCHEMBL6140285

SCHEMBL6140285

O=C1CCCC(=O)N1c1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
CASP6 P55212 3/20 0.63
APEX1 P27695 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP1 P29466 2/20 0.45
CASP3 P42574 2/20 0.45
CASP4 P49662 2/20 0.45
CASP7 P55210 2/20 0.45
CASP9 P55211 2/20 0.45
CASP8 Q14790 1/20 0.45
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PTPRC P08575 2/20 0.43

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
SCHEMBL6140444 0.94 POLB (0.55) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL6573228 0.80 GAA (0.61) POLBLMNAMAPTMEN1KMT2A
SCHEMBL6140946 0.79 TDP1 (0.71) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL6140264 0.77 CASP6 (0.69) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL6140258 0.77 TDP1 (0.69) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL32690181 0.77 TDP1 (1.00) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL6140454 0.77 POLB (0.69) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL6140578 0.74 POLB (0.64) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL29563987 0.74 ALDH1A1 (0.66) POLBCASP6APEX1CTDSP1TDP1
SCHEMBL6140233 0.74 TDP1 (0.64) POLBCASP6APEX1CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid MERCK PATENT GMBH (DE) 2005-08-18 US disclosed
EP-1506173-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GmbH (DE) 2005-02-16 EP disclosed
WO-2003097600-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GMBH (DE) 2003-11-27 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-20050182260-A1 Process for the preparation of cyclic imides in the presence of polyphosphoric acid PPIP5K2, ITPA, IPMK POLB 1147/4885CASP6 4360/4885APEX1 1525/4885

“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.