SCHEMBL684630

SCHEMBL684630

COc1cccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 9/20 0.61
ASF1A Q9Y294 1/20 0.58
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
BLM P54132 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
PSMD14 O00487 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL684872 0.89 NPC1 (0.61) SIRT1ASF1AMAPTKDM4ESMN1; SMN2
SCHEMBL684847 0.87 KDM1A (0.66) SIRT1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL684643 0.86 SIRT1 (0.59) SIRT1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL684622 0.85 MEN1 (0.63) SIRT1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL684936 0.84 SIRT1 (0.67) SIRT1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL684843 0.84 KDM1A (0.63) MAPTKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL683991 0.84 NPC1 (0.65) SIRT1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL16079425 0.82 KDM4E (0.60) SIRT1ASF1AMAPTKDM4ESMN1; SMN2
SCHEMBL685190 0.81 KDM4E (0.51) SIRT1ASF1AMAPTKDM4ESMN1; SMN2
SCHEMBL14907036 0.81 KDM4E (0.58) SIRT1ASF1AMAPTKDM4ESMN1; SMN2

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-8461078-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2013-06-11 US disclosed
US-8461078-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2013-06-11 US disclosed
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-05-03 US disclosed
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-05-03 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 SIRT1 2400/4885ASF1A 1869/4885MAPT 1491/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SIRT1 1977/4885ASF1A 1445/4885MAPT 921/4885

“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.