SCHEMBL684933

SCHEMBL684933

O=C(N/N=C(/c1ccccc1O)C(F)(F)F)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 1/20 0.66
KDM1A O60341 2/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 4/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43

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
SCHEMBL685379 0.85 GSTA1 (0.66) GSTA1KDM1ARAB9ANPC1CRHBP
SCHEMBL18989296 0.84 RAB9A (0.54) GSTA1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL18989297 0.84 RAB9A (0.54) GSTA1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL422880 0.80 GSTA1 (1.00) GSTA1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL684755 0.78 KDM1A (0.50) GSTA1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL684658 0.77 KDM1A (0.83) GSTA1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL1638627 0.77 KCNMA1 (0.52) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1638630 0.77 KCNMA1 (0.52) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL31352378 0.76 RAB9A (0.62) GSTA1KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL18988802 0.76 RAB9A (0.62) GSTA1KDM1ARAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GSTA1 784/4885KDM1A 484/4885RAB9A 3846/4885

“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.