SCHEMBL5370534

SCHEMBL5370534

COc1cc([N+](=O)[O-])ccc1N1C(=O)CCC1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
CASP6 P55212 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
HTT P42858 3/20 0.54
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6140233 0.94 TDP1 (0.64) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL6140569 0.80 TDP1 (0.60) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL30758606 0.80 RECQL (0.62) CASP6HTTMAPTSMN1; SMN2LMNA
SCHEMBL16592564 0.80 RECQL (0.62) CASP6HTTMAPTSMN1; SMN2LMNA
SCHEMBL15725834 0.80 ALDH1A1 (0.64) TDP1HTTMAPTSMN1; SMN2LMNA
SCHEMBL5375674 0.80 NR1H4 (0.55) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL18932641 0.79 CASP6 (0.52) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL6141764 0.78 TDP1 (0.61) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL1928415 0.78 ALDH1A1 (0.64) HTTMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2189536 0.78 MAPT (0.64) TDP1HTTMAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
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
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2003097600-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GMBH (DE) 2003-11-27 WO disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (2 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 TDP1 2026/4885POLB 1147/4885APEX1 1525/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 TDP1 230/4885POLB 4221/4885APEX1 3468/4885

“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.