SCHEMBL6780315

SCHEMBL6780315

CCOC(=O)c1noc(-c2cnccc2C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAT P00750 1/20 0.40
S1PR1 P21453 2/20 0.39
CDC7 O00311 3/20 0.38
DBF4 Q9UBU7 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DHODH Q02127 1/20 0.37
IDO1 P14902 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP2 P08253 1/20 0.36
BMP1 P13497 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
OPRK1 P41145 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL6781999 0.82 DHODH (0.46) KDM4EPLATS1PR1DHODHS1PR3
SCHEMBL6784970 0.80 HDAC4 (0.41) KDM4EPLATS1PR1DHODHS1PR3
SCHEMBL6779800 0.78 KDM4E (0.40) KDM4EPLATS1PR1DHODHS1PR3
SCHEMBL6978949 0.78 TARBP2 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2CDC7
SCHEMBL8825537 0.76 CDC7 (0.51) ALDH1A1HPGDSMN1; SMN2S1PR1CDC7
SCHEMBL15236975 0.76 S1PR1 (0.48) ALDH1A1PLATS1PR1L3MBTL1S1PR3
SCHEMBL6781208 0.75 S1PR1 (0.39) ALDH1A1KDM4EPLATS1PR1L3MBTL1
SCHEMBL6782045 0.75 AKR1B1 (0.48) ALDH1A1KDM4EPLATS1PR1DHODH
SCHEMBL8825436 0.75 NPC1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2S1PR1
SCHEMBL8825633 0.75 KMT2A (0.55) ALDH1A1KDM4ES1PR1DHODHMEN1

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 8 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
WO-2000035285-A1 4-HALOALKYL-3-HETEROCYCLYLPYRIDINES AND 4-HALOALKYL-5-HETEROCYCLYL-PYRIMIDINES AND THEIR USE AS REPELLENTS AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
EP-0991648-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 2000-04-12 EP disclosed
WO-1998057969-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-12-23 WO 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 ALDH1A1 1618/4885KDM4E 297/4885HPGD 945/4885
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 ALDH1A1 1196/4885KDM4E 366/4885HPGD 940/4885

“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.