SCHEMBL6780744

SCHEMBL6780744

FC(F)(F)c1ccncc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.62
S1PR3 Q99500 3/20 0.62
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 2/20 0.56
POLB P06746 1/20 0.55
GPR55 Q9Y2T6 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
PKM P14618 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL6785923 0.89 S1PR1 (0.61) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL6781308 0.83 S1PR1 (0.51) S1PR1S1PR3SMN1; SMN2HTTTP53
SCHEMBL6779997 0.81 NPC1 (0.60) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL6786217 0.80 NPC1 (0.59) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL1273061 0.78 DHODH (0.54) S1PR1S1PR3ALDH1A1HSD17B10L3MBTL1
SCHEMBL15236975 0.78 S1PR1 (0.48) S1PR1S1PR3ALDH1A1L3MBTL1
SCHEMBL6778832 0.77 NPC1 (0.56) SMN1; SMN2MAPTALDH1A1TSHRTP53
SCHEMBL6776628 0.77 S1PR1 (0.57) S1PR1S1PR3SMN1; SMN2MAPTTSHR
SCHEMBL6781999 0.77 DHODH (0.46) S1PR1S1PR3KDM4E
SCHEMBL6782004 0.77 S1PR1 (0.56) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1

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 10 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
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 1664/4885SMN1; SMN2 3787/4885
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 2382/4885SMN1; SMN2 3841/4885

“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.