SCHEMBL6780809

SCHEMBL6780809

FC(F)(F)c1cc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.67
S1PR3 Q99500 6/20 0.67
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLAT P00750 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6780231 0.86 S1PR1 (0.54) S1PR1S1PR3NPC1RAB9APLAT
SCHEMBL6778666 0.86 S1PR1 (0.57) S1PR1S1PR3NPC1RAB9APLAT
SCHEMBL6785923 0.84 S1PR1 (0.61) S1PR1S1PR3NPC1RAB9APOLB
SCHEMBL6782004 0.83 S1PR1 (0.56) S1PR1S1PR3NPC1RAB9APLAT
SCHEMBL6780851 0.82 S1PR1 (0.55) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL6777362 0.81 S1PR1 (0.58) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13416795 0.80 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9AHPGD
SCHEMBL6776628 0.80 S1PR1 (0.57) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL12171592 0.79 NR1H4 (0.52) S1PR1S1PR3NPC1RAB9APLAT
SCHEMBL6779997 0.76 NPC1 (0.60) S1PR1S1PR3NPC1RAB9AMEN1

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-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
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 claimed
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 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 S1PR1 2943/4885S1PR3 1664/4885NPC1 3806/4885
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 S1PR1 3032/4885S1PR3 2382/4885NPC1 3514/4885

“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.