SCHEMBL684972

SCHEMBL684972

O=C(N/N=C/c1cc(Br)cc(F)c1O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 5/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 2/20 0.59
PKM P14618 1/20 0.59
SAE1 Q9UBE0 1/20 0.59
UBA2 Q9UBT2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 1/20 0.59
SIRT1 Q96EB6 5/20 0.58
KDM1A O60341 1/20 0.55
RAB9A P51151 4/20 0.54
ALOX5 P09917 1/20 0.54
PTGS2 P35354 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 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
SCHEMBL30122114 0.89 SIRT1 (0.70) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL20446235 0.89 SIRT1 (0.70) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL20446233 0.89 SIRT1 (0.70) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL684655 0.88 SIRT1 (0.70) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL684597 0.87 MAPT (0.77) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL31615212 0.87 MAPT (0.77) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL685055 0.86 SIRT1 (0.71) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL685298 0.85 KMT2A (0.61) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL13549794 0.85 KMT2A (0.69) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL10201984 0.85 NPC1 (0.54) MAPTNPC1SMN1; SMN2HTTSIRT1

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-8455394-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-06-04 US disclosed
US-8455394-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-06-04 US disclosed
US-20120021065-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021065-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 MEN1 536/4885KMT2A 1362/4885MAPT 1491/4885
US-20120021065-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MEN1 508/4885KMT2A 1224/4885MAPT 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.