SCHEMBL684702

SCHEMBL684702

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.59
MEN1 O00255 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
KDM1A O60341 2/20 0.53
TMPRSS4 Q9NRS4 1/20 0.52
OPRK1 P41145 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
NFKB1 P19838 1/20 0.50
CASP3 P42574 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL686267 0.93 MTOR (0.56) MTORMEN1NPC1RAB9AKMT2A
SCHEMBL686342 0.90 KDM1A (0.57) MTORMEN1NPC1RAB9AKMT2A
SCHEMBL685062 0.90 RAB9A (0.61) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL684709 0.86 MTOR (0.57) MTORMEN1NPC1RAB9AKMT2A
SCHEMBL684690 0.86 KDM1A (0.56) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL684055 0.85 KDM1A (0.73) MTORMEN1NPC1RAB9AKMT2A
SCHEMBL683907 0.85 KDM1A (0.69) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL684684 0.85 KDM1A (0.72) MTORMEN1NPC1RAB9AKMT2A
SCHEMBL685141 0.84 MTOR (0.61) MTORMEN1NPC1RAB9AKMT2A
SCHEMBL686443 0.84 KDM1A (0.54) MTORMEN1NPC1RAB9AKMT2A

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-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
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-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 2134/4885MEN1 536/4885NPC1 1690/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885MEN1 508/4885NPC1 1052/4885

“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.