SCHEMBL1554424

SCHEMBL1554424

O=C(O)Nc1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
PLK1 P53350 1/20 0.54
PLK3 Q9H4B4 1/20 0.54
POLB P06746 4/20 0.52
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 1/20 0.50
CXCR1 P25024 1/20 0.49
CXCR2 P25025 1/20 0.49
GAA P10253 4/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL15874898 0.87 TDP1 (0.59) TDP1L3MBTL1PLK1PLK3POLB
SCHEMBL1800858 0.83 TDP1 (0.63) TDP1L3MBTL1PLK1PLK3POLB
SCHEMBL26343228 0.83 PDK1 (0.52) TDP1L3MBTL1PLK1PLK3POLB
SCHEMBL113558 0.82 MEN1 (0.71) TDP1L3MBTL1POLBLMNAALDH1A1
SCHEMBL175272 0.82 MEN1 (0.71) TDP1L3MBTL1POLBLMNAALDH1A1
SCHEMBL26672066 0.82 TDP1 (0.50) TDP1L3MBTL1PLK1PLK3POLB
SCHEMBL1554602 0.82 TDP1 (0.75) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6142313 0.82 ALDH1A1 (0.48) TDP1L3MBTL1PLK1PLK3POLB
SCHEMBL169339 0.81 POLB (0.54) TDP1L3MBTL1POLBLMNAALDH1A1
SCHEMBL169338 0.81 POLB (0.54) TDP1L3MBTL1POLBLMNAALDH1A1

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-2486040-B1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LTD (GB) 2017-06-21 EP disclosed
US-8946410-B2 Automated radiosynthesis GE HEALTHCARE LIMITED (GB) 2015-02-03 US disclosed
EP-2486040-A1 AUTOMATED RADIOSYNTHESIS GE Healthcare Limited (GB) 2012-08-15 EP disclosed
US-20120190843-A1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LIMITED (GB) 2012-07-26 US disclosed
WO-2011042529-A1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LIMITED (GB) 2011-04-14 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-20120190843-A1 AUTOMATED RADIOSYNTHESIS GABRB2, GABRB3, GABRR2 TDP1 2320/4885L3MBTL1 4127/4885PLK1 2709/4885

“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.