SCHEMBL6780441

SCHEMBL6780441

FC(F)(F)c1ccnc(-c2cnno2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
FAAH O00519 1/20 0.40
CES1 P23141 1/20 0.40
PIM1 P11309 1/20 0.35
ADRB1 P08588 1/20 0.35
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 1/20 0.32
CES2 O00748 1/20 0.32
TGFBR1 P36897 1/20 0.32
SYK P43405 1/20 0.32
GRM5 P41594 1/20 0.32
S1PR1 P21453 2/20 0.31
PLAT P00750 1/20 0.31
KMO O15229 1/20 0.31
CBFB Q13951 1/20 0.31

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
SCHEMBL810884 0.76 NOS3 (0.61) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL694810 0.76
SCHEMBL15624407 0.70 NOS3 (0.53) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL12074960 0.69 NOS3 (0.48) NOS3NOS2PIM1ADRB1MAPK1
SCHEMBL694811 0.68 KDM4E (0.50) MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL27764812 0.68 KIF11 (0.52) NOS3NOS2TGFBR1S1PR1
SCHEMBL19258816 0.68 NOS3 (0.52) NOS3NOS2PIM1ADRB1MAPK1
SCHEMBL20224616 0.68 NOS3 (0.47) NOS3NOS2FAAHCES1PIM1
SCHEMBL21777020 0.68 NOTUM (0.56) NOS3NOS2
SCHEMBL24363083 0.67 KDM4E (0.54) NOS3NOS2ADRB1MAPK1NPC1

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 claimed
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 claimed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP 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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NOS3 4365/4885NOS2 4850/4885FAAH 270/4885

“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.