SCHEMBL677944

SCHEMBL677944

O=Cc1cc(F)c(Cl)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
ERN1 O75460 9/20 0.34
KDR P35968 1/20 0.33
EPAS1 Q99814 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9242468 0.94 KIF11 (0.39) KIF11TDP1ERN1KDREPAS1
SCHEMBL3620779 0.88 TDP1 (0.39) KIF11TDP1ERN1KDRALDH1A1
SCHEMBL9342590 0.83 KIF11 (0.44) KIF11ERN1
SCHEMBL2966961 0.80 ERN1 (0.40) KIF11TDP1ERN1
SCHEMBL9340602 0.78 KIF11 (0.39) KIF11TDP1ERN1KDR
SCHEMBL7272536 0.78 TDP1 (0.42) KIF11TDP1ERN1KDR
SCHEMBL8672712 0.76 TDP1 (0.48) TDP1ERN1ALDH1A1
SCHEMBL9628313 0.76 KIF11 (0.36) KIF11TDP1KDRALDH1A1
SCHEMBL8462010 0.76 HTR3E (0.41) TDP1KDRALDH1A1
SCHEMBL604322 0.76 TDP1 (0.43) TDP1ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
EP-2376441-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed
EP-2376435-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083310-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 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 (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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 KIF11 2403/4885TDP1 3561/4885ERN1 3396/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KIF11 2274/4885TDP1 2868/4885ERN1 3190/4885

“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.