SCHEMBL1025529

SCHEMBL1025529

COC(=O)c1cc(Oc2ccc(Nc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
BRAF P15056 1/20 0.47
HDAC1 Q13547 1/20 0.47
SIRT6 Q8N6T7 2/20 0.45
HSPB1 P04792 2/20 0.43
FBP1 P09467 1/20 0.43
HPGD P15428 1/20 0.42
AR P10275 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL2424186 0.94 TDP1 (0.61) TDP1BRAFHDAC1SIRT6HSPB1
SCHEMBL10784720 0.86 TDP1 (0.70) TDP1SIRT6HPGDSMN1; SMN2MAPT
SCHEMBL1028474 0.85 TDP1 (0.60) TDP1BRAFHDAC1SIRT6HPGD
SCHEMBL10784985 0.82 TDP1 (0.62) TDP1SIRT6HPGDSMN1; SMN2MAPT
SCHEMBL2724028 0.82 TDP1 (0.62) TDP1SIRT6HPGDSMN1; SMN2MAPT
SCHEMBL3512673 0.82 TDP1 (0.62) TDP1SIRT6HSPB1HPGDSMN1; SMN2
SCHEMBL12846984 0.81 TDP1 (0.47) TDP1BRAFHDAC1SIRT6HSPB1
SCHEMBL1027039 0.81 TDP1 (0.61) TDP1BRAFHDAC1SIRT6HPGD
SCHEMBL10785510 0.81 TDP1 (0.61) TDP1SIRT6HPGDSMN1; SMN2MAPT
SCHEMBL17530357 0.81 TDP1 (0.76) TDP1BRAFHDAC1SIRT6HPGD

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 4176/4885BRAF 4179/4885HDAC1 1974/4885

“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.