SCHEMBL684680

SCHEMBL684680

COc1ccc(/C(C)=N/NC(=O)c2ccccc2C)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 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
SCHEMBL683849 0.90 RAB9A (0.62) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL685084 0.90 HPGD (0.62) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL685049 0.87 RAB9A (0.55) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL683879 0.87 MAPT (0.65) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL684675 0.85 L3MBTL1 (0.63) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL683729 0.83 KDM1A (0.67) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL684895 0.82 KDM1A (0.58) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL684753 0.82 ALDH1A1 (0.51) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL685326 0.82 MAPT (0.61) RAB9ANPC1KDM4EGAASMN1; SMN2
SCHEMBL22815483 0.82 ALDH1A1 (0.61) RAB9ANPC1KDM4EGAASMN1; 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 RAB9A 3846/4885NPC1 1690/4885KDM4E 1473/4885

“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.