SCHEMBL4170967

SCHEMBL4170967

FC(F)(F)c1[c]c(CC=Cc2ccc3ccccc3c2)ncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PTGS1 P23219 1/20 0.35
NQO2 P16083 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
CYP1A2 P05177 2/20 0.33
PTPN1 P18031 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4174412 0.81 GRM4 (0.35) PTGS1ALDH1A1GLAMAPTCYP1A1
SCHEMBL4168484 0.81 CHRNB2 (0.39) CHRNB4CHRNA3CHRNA7HDAC1HDAC8
SCHEMBL4168497 0.80 DCTPP1 (0.35) GLANPC1RAB9A
SCHEMBL4175680 0.80 CHRNA7 (0.32) CHRNA7ALDH1A1HPGDCYP2C19RAB9A
SCHEMBL4168514 0.80 TRPA1 (0.30) KMT2APKM
SCHEMBL4177697 0.79 PDE4B (0.30)
SCHEMBL4178066 0.79 AHR (0.40)
SCHEMBL4167639 0.77 CHRNB2 (0.32) CHRNB4CHRNA3CHRNA7
SCHEMBL4167660 0.77 P4HB (0.36) ALDH1A1GLAMAPTGRIK1GRIK2
SCHEMBL4182651 0.76 NPC1 (0.31) KMT2AHPGDNPC1RAB9A

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 RELA 2452/4885CHRNB4 1137/4885CHRNA3 992/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX RELA 272/4885CHRNB4 2279/4885CHRNA3 2473/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 RELA 2657/4885CHRNB4 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.