SCHEMBL3909236

SCHEMBL3909236

Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KIF11 P52732 8/20 0.47
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TTR P02766 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ATM Q13315 1/20 0.40
PTGES O14684 1/20 0.40
MAPK1 P28482 1/20 0.37

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
SCHEMBL3900786 0.83 TDP1 (0.55) ALDH1A1KIF11TDP1MAPTMEN1
SCHEMBL10285828 0.81 ALDH1A1 (0.72) ALDH1A1TDP1MAPTPOLBLMNA
SCHEMBL5431870 0.81 KIF11 (0.48) ALDH1A1KIF11TDP1MAPTTTR
SCHEMBL3906089 0.81 KIF11 (0.59) KIF11
SCHEMBL3901007 0.80 TDP1 (0.71) ALDH1A1KIF11TDP1MAPTMEN1
SCHEMBL3968139 0.78 KIF11 (0.74) KIF11TTR
SCHEMBL5431865 0.77 KIF11 (0.48) ALDH1A1KIF11TDP1MAPTPOLB
SCHEMBL21906385 0.77 KIF11 (0.47) ALDH1A1KIF11TDP1MAPTMEN1
SCHEMBL3908000 0.76 KIF11 (0.50) KIF11
SCHEMBL28482397 0.75 SRD5A2 (0.41) ALDH1A1TDP1MAPTMEN1POLB

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 ALDH1A1 2715/4885KIF11 824/4885TDP1 918/4885

“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.