SCHEMBL1082885

SCHEMBL1082885

C=CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
TGM2 P21980 5/20 0.52
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAP2K7 O14733 1/20 0.44
SIRT6 Q8N6T7 2/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BTK Q06187 1/20 0.42
FGFR1 P11362 1/20 0.42
ALOX5 P09917 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL1083277 0.89 TDP1 (0.54) TDP1TGM2MEN1KMT2ALMNA
SCHEMBL10784720 0.84 TDP1 (0.70) TDP1MEN1KMT2APOLBSIRT6
SCHEMBL1028474 0.83 TDP1 (0.60) TDP1MEN1KMT2ALMNAPOLB
SCHEMBL1083219 0.81 TGM2 (0.49) TGM2MEN1KMT2ALMNAPOLB
SCHEMBL1082215 0.81 TGM2 (0.57) TGM2LMNAPOLBMAP2K7MAPT
SCHEMBL10784985 0.80 TDP1 (0.62) TDP1MEN1KMT2APOLBSIRT6
SCHEMBL2724028 0.80 TDP1 (0.62) TDP1MEN1KMT2APOLBSIRT6
SCHEMBL3512673 0.80 TDP1 (0.62) TDP1MEN1KMT2ALMNAPOLB
SCHEMBL1082208 0.80 TGM2 (0.50) TDP1TGM2MEN1KMT2AMAPT
SCHEMBL2424186 0.79 TDP1 (0.61) TDP1MEN1KMT2ALMNAPOLB

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 4176/4885TGM2 2255/4885MEN1 2758/4885

“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.