SCHEMBL1031276

SCHEMBL1031276

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
SIRT6 Q8N6T7 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
BRAF P15056 8/20 0.46
HDAC1 Q13547 8/20 0.46
RAF1 P04049 1/20 0.46
ARAF P10398 1/20 0.46
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 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
SCHEMBL1026867 0.94 TDP1 (0.55) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL23111304 0.93 TDP1 (0.67) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL10784720 0.92 TDP1 (0.70) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL1027039 0.89 TDP1 (0.61) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL3512673 0.88 TDP1 (0.62) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL1026672 0.88 ALDH1A1 (0.54) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL30317905 0.87 TDP1 (0.60) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL28487484 0.87 TDP1 (0.60) TDP1SIRT6ALDH1A1MAPTHPGD
SCHEMBL1027047 0.86 TDP1 (0.58) TDP1SIRT6ALDH1A1MAPTGAA
SCHEMBL1028477 0.86 PDGFRB (0.56) TDP1SIRT6ALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036952-A Bis-aryl compounds for use as medicaments BIOLIPOX AB 2011-04-27 CN disclosed
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 3685/4885ALDH1A1 474/4885

“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.