SCHEMBL3897180

SCHEMBL3897180

Nc1ccc(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TSHR P16473 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL3896785 0.83 KIF11 (0.64) KIF11TDP1MAPTMEN1POLB
Hydrochloric Acid SCHEMBL6575263 0.79 KIF11 (0.50) KIF11TDP1MAPTMEN1POLB
SCHEMBL3896158 0.79 KIF11 (0.72) KIF11
SCHEMBL2380887 0.78 TDP1 (0.63) KIF11TDP1MAPTMEN1POLB
SCHEMBL29267940 0.78 ALDH1A1 (0.49) KIF11TDP1MAPTMEN1POLB
SCHEMBL5531408 0.78 KIF11 (0.72) KIF11
SCHEMBL28279522 0.77 KIF11 (0.60) KIF11TDP1MAPTMEN1POLB
SCHEMBL25247338 0.76 TDP1 (0.76) TDP1MAPTMEN1POLBKMT2A
SCHEMBL31109079 0.76 TDP1 (0.76) TDP1MAPTMEN1POLBKMT2A
SCHEMBL416825 0.76 MAPT (0.76) TDP1MAPTMEN1POLBKMT2A

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
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 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-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885TDP1 918/4885MAPT 2834/4885

“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.