SCHEMBL685379

SCHEMBL685379

CC(C)(C)/C(=N\NC(=O)c1ccccc1)c1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 1/20 0.66
KDM1A O60341 2/20 0.56
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
KDM4E B2RXH2 4/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.47
ESRRG P62508 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL684933 0.85 GSTA1 (0.66) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL684658 0.80 KDM1A (0.83) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL422880 0.80 GSTA1 (1.00) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL3065930 0.78 RAB9A (0.64) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL685189 0.78 GSTA1 (0.68) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL684549 0.74 KDM1A (0.77) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL23719304 0.74 RAB9A (0.80) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL1562888 0.73 GSTA1 (0.76) GSTA1KDM1ANPC1RAB9AKDM4E
SCHEMBL15820754 0.73 ALDH1A1 (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL19032011 0.72 NPC1 (0.70) GSTA1NPC1RAB9AKDM4ECTDSP1

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 1 patent. 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

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 484/4885NPC1 1690/4885

“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.