SCHEMBL1028474

SCHEMBL1028474

CNc1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
SIRT6 Q8N6T7 2/20 0.48
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
BRAF P15056 3/20 0.43
HDAC1 Q13547 3/20 0.43
RAF1 P04049 1/20 0.43
ARAF P10398 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
MYOC Q99972 1/20 0.43
XDH P47989 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
SCHEMBL10784720 0.90 TDP1 (0.70) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL2724028 0.86 TDP1 (0.62) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL3512673 0.86 TDP1 (0.62) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL10784985 0.86 TDP1 (0.62) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL31665134 0.86 SIRT6 (0.54) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL10785510 0.85 TDP1 (0.61) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL1027039 0.85 TDP1 (0.61) TDP1SIRT6MAPTGAAMEN1
SCHEMBL17530357 0.85 TDP1 (0.76) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL2424186 0.85 TDP1 (0.61) TDP1SIRT6MAPTMEN1KMT2A
SCHEMBL1025529 0.85 TDP1 (0.56) TDP1SIRT6MAPTMEN1KMT2A

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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R TDP1 4176/4885SIRT6 3685/4885MAPT 4587/4885

“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.