SCHEMBL2076929

SCHEMBL2076929

O=C=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPD P32754 2/20 0.42
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL204755 0.82 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL15561143 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL16859670 0.81 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL28629804 0.77 MAPT (0.48) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL21864706 0.77 EGFR (0.55) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL29942185 0.76 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL7240751 0.76 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL8762851 0.76 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL30996284 0.73 ALDH1A1 (0.46) ALDH1A1HPGDTSHRMAPK1MAPT
SCHEMBL5961 0.73 ALDH1A1 (0.58) ALDH1A1HPGDCYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-10-23 US disclosed
EP-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
EP-1799636-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES Schering-Plough Ltd. (CH) 2007-06-27 EP disclosed
WO-2006034333-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-03-30 WO disclosed
US-20060063841-A1 Parasiticides; nematocides; crop protection SCHERING-PLOUGH LTD. (CH) 2006-03-23 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-20060063841-A1 Parasiticides; nematocides; crop protection TRHDE, DDT, EPHX1 ALDH1A1 4339/4885HPGD 1936/4885CYP3A4 799/4885
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES TRHDE, EPX, EPHX1 ALDH1A1 3635/4885HPGD 2569/4885CYP3A4 183/4885

“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.