SCHEMBL685332

SCHEMBL685332

COc1cccc(C(=O)N/N=C(\C)c2cc(Cl)cc(Cl)c2O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 2/20 0.47
ACLY P53396 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KLK1 P06870 1/20 0.44
KLK5 Q9Y337 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
MAPT P10636 3/20 0.43
KLKB1 P03952 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL684920 0.92 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL684689 0.88 ALDH1A1 (0.54) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL684079 0.85 ALDH1A1 (0.51) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL684926 0.83 CYP3A4 (0.55) SMN1; SMN2GAAMEN1ALDH1A1KMT2A
SCHEMBL684560 0.83 ALDH1A1 (0.57) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL685082 0.82 KDM1A (0.58) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL685255 0.81 KDM1A (0.55) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL685324 0.81 GAA (0.54) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL683780 0.81 KDM1A (0.60) SMN1; SMN2GAALMNAMEN1ALDH1A1
SCHEMBL684513 0.81 KMT2A (0.55) SMN1; SMN2GAALMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 US disclosed
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-07 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 SMN1; SMN2 4107/4885GAA 670/4885LMNA 4808/4885
US-20120141597-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SMN1; SMN2 3775/4885GAA 386/4885LMNA 4567/4885

“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.