SCHEMBL6775372

SCHEMBL6775372

CCOC(=O)c1cncnc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
NFKB1 P19838 6/20 0.47
JUN P05412 5/20 0.47
NFKB2 Q00653 5/20 0.47
RELA Q04206 5/20 0.47
IDO1 P14902 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
FOS P01100 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL13531248 0.88 KDM4E (0.49) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL1012427 0.86 KDM4E (0.49) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL9630799 0.84 KDM4E (0.47) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL13531238 0.83 MAPT (0.46) KDM4EALDH1A1NPC1MAPTL3MBTL1
SCHEMBL27678495 0.82 KDM4E (0.43) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL1669584 0.79 TSHR (0.48) KDM4ENPSR1ALDH1A1HPGDNPC1
SCHEMBL29906642 0.79 TSHR (0.48) KDM4ENPSR1ALDH1A1HPGDNPC1
SCHEMBL2119119 0.79 KDM4E (0.74) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL18149813 0.79 KDM4E (0.58) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL28511264 0.78 KDM4E (0.48) KDM4ENFKB1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100015382-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-01-21 US disclosed
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 KDM4E 297/4885NFKB1 4601/4885JUN 3605/4885
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 KDM4E 366/4885NFKB1 4390/4885JUN 2573/4885

“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.