SCHEMBL6779573

SCHEMBL6779573

O=C(NNC(=O)c1csc(-c2cnccc2C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
TDP1 Q9NUW8 1/20 1.00
MAPK1 P28482 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
TLR7 Q9NYK1 6/20 0.55
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
IDE P14735 1/20 0.48
MAPK10 P53779 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
HPGD P15428 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC2 Q92769 1/20 0.41

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
SCHEMBL6786449 0.82 KDM4E (0.70) KDM4ETDP1MAPK1MAPTLMNA
SCHEMBL2140447 0.80 KDM4E (0.65) KDM4ETDP1MAPK1MAPTLMNA
SCHEMBL10054629 0.73 TDP1 (0.57) KDM4ETDP1MAPTPOLBNPC1
SCHEMBL14527340 0.72 KIF11 (0.66) KDM4ETDP1TLR7POLBALDH1A1
SCHEMBL6778823 0.72 NPC1 (0.58) KDM4ETDP1MAPTPOLBNPC1
SCHEMBL3815420 0.71 KDM4E (0.55) KDM4ETDP1POLBNPC1ALDH1A1
SCHEMBL2139382 0.71 KDM4E (0.55) KDM4ETDP1MAPK1MAPTLMNA
SCHEMBL3819669 0.70 KDM4E (0.54) KDM4ETDP1NPC1ALDH1A1
SCHEMBL8118715 0.70 KDM4E (0.54) KDM4ETDP1MAPTPOLBMAPK10
SCHEMBL2927311 0.69 KDM4E (0.53) KDM4ETDP1MAPK1MAPTLMNA

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-6521610-B2 For controlling harmful insects, acarina and nematodes HOECHST SCHERING AGREVO GMBH (DE) 2003-02-18 US claimed
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 claimed
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 claimed
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 297/4885TDP1 1502/4885MAPK1 3583/4885
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 366/4885TDP1 926/4885MAPK1 2422/4885

“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.