SCHEMBL6780327

SCHEMBL6780327

CCC(C=O)NC(=O)c1cccnc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.61
CTSK P43235 1/20 0.60
HDAC6 Q9UBN7 1/20 0.47
KCNK3 O14649 3/20 0.39
CAPN1 P07384 4/20 0.38
ACKR3 P25106 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
P2RX7 Q99572 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4394779 0.80 HDAC6 (0.51) CTSSHDAC6HCRTR1HCRTR2
SCHEMBL29646334 0.75 P2RX7 (0.58) HDAC6ACKR3HCRTR1HCRTR2P2RX7
SCHEMBL7988780 0.75 HDAC6 (0.58) HDAC6ACKR3HCRTR1HCRTR2P2RX7
SCHEMBL1447540 0.75 P2RX7 (0.58) HDAC6ACKR3HCRTR1HCRTR2P2RX7
Hydrochloric Acid SCHEMBL7790006 0.72 CAPN1 (0.52) CTSSCTSKCAPN1ATMMEN1
Hydrochloric Acid SCHEMBL7790002 0.72 CAPN1 (0.52) CTSSCTSKCAPN1ATMMEN1
SCHEMBL4372942 0.72 HDAC6 (0.51) HDAC6ACKR3HCRTR1HCRTR2P2RX7
SCHEMBL1568625 0.71 HDAC6 (0.57) CTSSCTSKHDAC6ACKR3HCRTR1
SCHEMBL5904488 0.71 HDAC6 (0.57) HDAC6MEN1KMT2A
SCHEMBL4384318 0.71 HDAC6 (0.48) HDAC6ACKR3HCRTR1HCRTR2P2RX7

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 CTSS 1339/4885CTSK 994/4885HDAC6 2389/4885
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 CTSS 1026/4885CTSK 1420/4885HDAC6 3209/4885

“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.