SCHEMBL686445

SCHEMBL686445

O=C(N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.69
SIRT1 Q96EB6 2/20 0.55
MAPT P10636 11/20 0.53
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.53
ALOX5 P09917 2/20 0.52
PTGS2 P35354 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 3/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL686244 0.89 DUSP3 (0.62) PHGDHMAPTKDM4EMEN1KMT2A
SCHEMBL685678 0.88 PHGDH (0.67) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL684647 0.88 PHGDH (0.61) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL683946 0.88 PHGDH (0.61) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL9921033 0.87 SIRT1 (0.62) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL9921129 0.86 PHGDH (0.87) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL684618 0.85 PHGDH (0.62) PHGDHMAPTKDM4EMEN1KMT2A
SCHEMBL686471 0.84 SIRT1 (0.60) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL9921093 0.84 SIRT1 (0.63) PHGDHSIRT1MAPTKDM4EMEN1
SCHEMBL9921031 0.84 ALOX5 (0.71) PHGDHSIRT1MAPTKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 PHGDH 1735/4885SIRT1 2400/4885MAPT 1491/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PHGDH 1393/4885SIRT1 1977/4885MAPT 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.