SCHEMBL684549

SCHEMBL684549

C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.77
ESRRG P62508 2/20 0.66
AGTR1 P30556 1/20 0.61
KDM4E B2RXH2 5/20 0.60
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
GSTA1 P08263 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL685110 0.88 KDM1A (0.75) KDM1AESRRGKDM4ENPC1RAB9A
SCHEMBL19283326 0.87 KDM1A (1.00) KDM1AESRRGKDM4ENPC1RAB9A
SCHEMBL14712657 0.87 KDM1A (1.00) KDM1AESRRGKDM4ENPC1RAB9A
SCHEMBL23719208 0.87 KDM1A (1.00) KDM1AESRRGKDM4ENPC1RAB9A
SCHEMBL684658 0.87 KDM1A (0.83) KDM1AKDM4ENPC1RAB9ACTDSP1
SCHEMBL28012829 0.86 KDM1A (0.81) KDM1AAGTR1KDM4ENPC1RAB9A
SCHEMBL684476 0.86 KDM1A (0.81) KDM1AKDM4ENPC1RAB9ACTDSP1
SCHEMBL685157 0.86 KDM1A (0.81) KDM1AAGTR1KDM4ENPC1RAB9A
SCHEMBL684817 0.84 KDM1A (0.79) KDM1AKDM4ENPC1RAB9ACTDSP1
SCHEMBL684487 0.84 KDM1A (0.79) KDM1AAGTR1KDM4ENPC1RAB9A

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 KDM1A 484/4885ESRRG 3774/4885AGTR1 2691/4885

“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.