SCHEMBL117366

SCHEMBL117366

O=[N+]([O-])c1ccc(-c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
SCN2A Q99250 1/20 0.47
MAOB P27338 1/20 0.46
KIF11 P52732 2/20 0.43
FBP1 P09467 1/20 0.43
PGR P06401 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
EIF4E P06730 1/20 0.42
KDM1A O60341 1/20 0.41
MEN1 O00255 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
SCHEMBL27570003 0.88 SCN2A (0.49) PTGESTDP1SCN2AMAOBKIF11
SCHEMBL3900786 0.87 TDP1 (0.55) PTGESTDP1ATMKIF11FBP1
SCHEMBL29878635 0.84 GPR35 (0.46) SCN2AKIF11FBP1EIF4ETTR
SCHEMBL113070 0.82 TDP1 (0.60) TDP1ATMFBP1ALDH1A1CYP3A4
SCHEMBL29580528 0.82 TDP1 (0.60) TDP1ATMFBP1ALDH1A1CYP3A4
SCHEMBL1298624 0.80 TDP1 (0.58) PTGESTDP1ATMALDH1A1HIF1A
SCHEMBL31375722 0.80 TDP1 (0.58) PTGESTDP1ATMALDH1A1HIF1A
SCHEMBL118682 0.80 AKR1B1 (0.45) PTGESSCN2AKIF11FBP1ALDH1A1
SCHEMBL28220649 0.80 SCN2A (0.64) SCN2AMAOBKIF11FBP1KDM1A
SCHEMBL8981842 0.77 ALDH1A1 (0.59) PTGESTDP1SCN2AMAOBKIF11

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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP PTGES 1306/4885TDP1 204/4885ATM 3843/4885

“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.