SCHEMBL6140264

SCHEMBL6140264

O=C1CCCC(=O)N1c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.69
POLB P06746 1/20 0.69
APEX1 P27695 1/20 0.69
CTDSP1 Q9GZU7 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 7/20 0.43
GAA P10253 4/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL6140662 0.94 CASP6 (0.60) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL6140946 0.83 TDP1 (0.71) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL32690181 0.82 TDP1 (1.00) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL6140454 0.82 POLB (0.69) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL6140258 0.82 TDP1 (0.69) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL29563987 0.78 ALDH1A1 (0.66) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL6140233 0.78 TDP1 (0.64) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL6140578 0.78 POLB (0.64) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL6140285 0.77 POLB (0.63) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL15508779 0.76 GAA (0.67) POLBKMT2ALMNAMAPTMEN1

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 CASP6 4360/4885POLB 1147/4885APEX1 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.