SCHEMBL685141

SCHEMBL685141

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(Br)cc(Br)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.61
SIRT1 Q96EB6 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
OPRK1 P41145 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ESRRG P62508 1/20 0.45
CA1 P00915 2/20 0.44

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
SCHEMBL685357 0.89 MEN1 (0.58) MTORMEN1KMT2AHTTNPC1
SCHEMBL684863 0.86 SIRT1 (0.52) MTORSIRT1MEN1KMT2ANPC1
SCHEMBL684714 0.85 MEN1 (0.54) MTORSIRT1MEN1KMT2AOPRK1
SCHEMBL684860 0.85 RAB9A (0.67) MTORMEN1KMT2AOPRK1NPC1
SCHEMBL684702 0.84 MTOR (0.59) MTORMEN1KMT2AOPRK1NPC1
SCHEMBL684717 0.83 GAA (0.54) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL14195175 0.81 MAPT (0.61) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL686267 0.80 MTOR (0.56) MTORMEN1KMT2AOPRK1HTT
SCHEMBL684913 0.80 MTOR (0.53) MTORSIRT1MEN1KMT2ANPC1
SCHEMBL686342 0.79 KDM1A (0.57) MTORMEN1KMT2AHTTNPC1

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
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 MTOR 2134/4885SIRT1 2400/4885MEN1 536/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885SIRT1 1977/4885MEN1 508/4885

“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.