SCHEMBL6777526

SCHEMBL6777526

CCOC(=O)C(N)=NOC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPC1 O15118 4/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RBP4 P02753 1/20 0.36
CD38 P28907 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
CFTR P13569 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6777522 1.00 MAPT (0.40) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL28109640 0.82 MAPT (0.48) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL29638304 0.82 MAPT (0.48) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL8825290 0.76 NPC1 (0.52) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL8825284 0.76 NPC1 (0.52) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL6776846 0.75 MAPT (0.39) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL6776849 0.75 MAPT (0.39) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL8825181 0.74 RAB9A (0.58) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL8825179 0.74 RAB9A (0.58) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL15244499 0.74 NPC1 (0.47) MAPTNPC1POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-6521610-B2 For controlling harmful insects, acarina and nematodes HOECHST SCHERING AGREVO GMBH (DE) 2003-02-18 US disclosed
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides TIEBES JORG (DE) 2002-01-31 US disclosed
US-6239160-B1 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-29 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-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD MAPT 4017/4885NPC1 3806/4885POLB 3998/4885
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HAX1, HDHD5 MAPT 4656/4885NPC1 3514/4885POLB 2336/4885

“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.