SCHEMBL13044872

SCHEMBL13044872

COC(=O)c1cc(Oc2ccc3ccccc3c2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
RAPGEF3 O95398 1/20 0.44
PLA2G7 Q13093 1/20 0.44
XDH P47989 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN9A Q15858 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PIN1 Q13526 1/20 0.41
PARG Q86W56 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1679958 0.83 TDP1 (0.49) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13044871 0.81 KDM4E (0.48) PLA2G7MEN1KMT2AALDH1A1RAB9A
SCHEMBL31371767 0.81 TDP1 (0.52) TDP1XDHSMN1; SMN2MEN1KMT2A
SCHEMBL7814814 0.79 POLB (0.49) TDP1MEN1KMT2ALMNAMAPT
SCHEMBL13107184 0.79 MAPT (0.43) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4677098 0.79 TDP1 (0.49) TDP1XDHSMN1; SMN2MEN1KMT2A
SCHEMBL1679933 0.78 TDP1 (0.44) TDP1MEN1KMT2AALDH1A1RAB9A
SCHEMBL13044873 0.77 KDM4E (0.42) PLA2G7SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4851442 0.77 TDP1 (0.65) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL6403580 0.76 ALDH1A1 (0.53) TDP1SMN1; SMN2MEN1KMT2AALDH1A1

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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B TDP1 1942/4885RAPGEF3 2787/4885PLA2G7 749/4885

“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.