SCHEMBL684863

SCHEMBL684863

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MTOR P42345 5/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
NFKB1 P19838 1/20 0.49
CASP3 P42574 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CA1 P00915 2/20 0.47

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 0.92 MEN1 (0.58) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL684714 0.89 MEN1 (0.54) SIRT1NPC1RAB9ASMN1; SMN2MTOR
SCHEMBL684860 0.88 RAB9A (0.67) NPC1RAB9ASMN1; SMN2MAPTMTOR
SCHEMBL684066 0.86 MTOR (0.53) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL685141 0.86 MTOR (0.61) SIRT1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL684717 0.86 GAA (0.54) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL14195175 0.84 MAPT (0.61) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL684690 0.83 KDM1A (0.56) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL10145258 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL10127197 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA

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 5 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

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 SIRT1 2400/4885NPC1 1690/4885RAB9A 3846/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SIRT1 1977/4885NPC1 1052/4885RAB9A 3616/4885

“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.