SCHEMBL4168484

SCHEMBL4168484

FC(F)(F)c1[c]c(CC=Cc2ccc(C(F)(F)F)cc2)ncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP1A2 P05177 1/20 0.36
AHR P35869 1/20 0.36
PTGS1 P23219 1/20 0.36
HDAC1 Q13547 2/20 0.35
FBP1 P09467 1/20 0.35
NQO2 P16083 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
MAOB P27338 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HDAC3 O15379 1/20 0.34
ADAM17 P78536 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL4177697 0.90 PDE4B (0.30)
SCHEMBL4174412 0.89 GRM4 (0.35) PTGS1KCNH2CYP1A1CYP1B1
SCHEMBL4168497 0.88 DCTPP1 (0.35) AHRCNR1KCNH2
SCHEMBL4175680 0.88 CHRNA7 (0.32) CHRNA7
SCHEMBL4167660 0.84 P4HB (0.36) FBP1GRIK1GRIK2PPARGPPARA
SCHEMBL4177913 0.84 GRIK1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4173830 0.84 KDM4E (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4182651 0.84 NPC1 (0.31)
SCHEMBL4168519 0.83 RELA (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4174113 0.83 NFE2L2 (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 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 (3 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 CHRNB2 1346/4885CHRNB4 1137/4885CHRNA3 992/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX CHRNB2 2470/4885CHRNB4 2279/4885CHRNA3 2473/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 CHRNB2 1386/4885CHRNB4 1302/4885CHRNA3 1220/4885

“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.