SCHEMBL6514635

SCHEMBL6514635

O=[N+]([O-])c1[c]ccc([N+](=O)[O-])c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 5/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
HPGD P15428 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
KIF11 P52732 1/20 0.32
PTPN5 P54829 1/20 0.32
ATM Q13315 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL8831878 0.81 AR (0.43) ARALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6037871 0.76 TDP1 (0.38) ALDH1A1TDP1CYP3A4TSHRHIF1A
SCHEMBL18478 0.73 TSHR (0.42) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL9789544 0.72 CYP1A2 (0.36) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL6676890 0.72 GPR35 (0.52) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL23581895 0.71 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL7646276 0.71 ABCC8 (0.36) ARALDH1A1TDP1KIF11SIRT6
SCHEMBL7646278 0.71 TSHR (0.38) ARALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11547377 0.70 ALDH1A1 (0.40) ARALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11690136 0.69 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118605-A9 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation ISIS PHARMACEUTICALS, INC. 2005-06-02 US disclosed
US-20050037370-A1 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation BAKER BRENDA F (US) 2005-02-17 US 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 (2 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-20050037370-A1 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation RNMT, RRBP1, G3BP1 AR 4234/4885ALDH1A1 4679/4885TDP1 1207/4885
US-20050118605-A9 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation RNMT, RRBP1, G3BP1 AR 4234/4885ALDH1A1 4679/4885TDP1 1207/4885

“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.