SCHEMBL6140888

SCHEMBL6140888

O=C1CCCC(=O)N1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 5/20 0.52
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.44
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL29510718 0.93 ALDH1A1 (0.56) ALDH1A1MAPTPOLBAPEX1CASP6
SCHEMBL22493009 0.93 ALDH1A1 (0.56) ALDH1A1MAPTPOLBAPEX1CASP6
SCHEMBL6140946 0.79 TDP1 (0.71) ALDH1A1MAPTPOLBAPEX1CASP6
SCHEMBL9819320 0.79 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL29510755 0.77 TLR9 (0.59) ALDH1A1MAPTTDP1LMNAKMT2A
SCHEMBL710745 0.77 TLR9 (0.59) ALDH1A1MAPTTDP1LMNAKMT2A
SCHEMBL11183526 0.76 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL5846779 0.75 LMNA (0.61) ALDH1A1MAPTPOLBTDP1SMN1; SMN2
SCHEMBL9354455 0.74 MAPT (0.59) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL28752521 0.74 LMNA (0.56) ALDH1A1MAPTTDP1SMN1; SMN2LMNA

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 ALDH1A1 4132/4885MAPT 4330/4885POLB 1147/4885

“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.