SCHEMBL685049

SCHEMBL685049

COc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
AR P10275 1/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL685084 0.89 HPGD (0.62) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL684680 0.87 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL683879 0.86 MAPT (0.65) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL684675 0.84 L3MBTL1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL684489 0.83 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL684019 0.83 KDM1A (0.57) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL685329 0.82 MAPT (0.57) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL685326 0.81 MAPT (0.61) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL22815483 0.81 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL23719209 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2KDM4EGAA

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 1690/4885SMN1; SMN2 4107/4885

“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.