SCHEMBL684507

SCHEMBL684507

COc1cccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.62
KDM1A O60341 1/20 0.57
KDM4E B2RXH2 7/20 0.56
NPC1 O15118 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
USP2 O75604 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.52
PSMD14 O00487 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52

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
SCHEMBL683746 0.90 PIK3CG (0.65) PIK3CGKDM1AKDM4ENPC1MEN1
SCHEMBL685190 0.90 KDM4E (0.51) PIK3CGKDM4ENPC1MEN1KMT2A
SCHEMBL684814 0.86 KDM4E (0.62) PIK3CGKDM1AKDM4ENPC1MEN1
SCHEMBL685169 0.83 PIK3CG (0.68) PIK3CGKDM1AKDM4ENPC1MEN1
SCHEMBL14907029 0.82 KDM4E (0.63) PIK3CGKDM1AKDM4ENPC1MEN1
SCHEMBL684773 0.82 PIK3CG (0.69) PIK3CGKDM1AKDM4ENPC1MEN1
SCHEMBL684498 0.81 KDM4E (0.63) PIK3CGKDM4ENPC1MEN1KMT2A
SCHEMBL684589 0.81 PIK3CG (0.62) PIK3CGKDM4ENPC1MEN1KMT2A
SCHEMBL14906907 0.81 GCGR (0.63) PIK3CGKDM4ENPC1MEN1KMT2A
SCHEMBL14906933 0.81 KDM4E (0.61) PIK3CGKDM1AKDM4ENPC1MEN1

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 PIK3CG 2876/4885KDM1A 484/4885KDM4E 1473/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PIK3CG 2911/4885KDM1A 291/4885KDM4E 1286/4885

“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.