SCHEMBL4175680

SCHEMBL4175680

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.32
ERBB2 P04626 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP21A2 P08686 1/20 0.30
CYP11B1 P15538 1/20 0.30
AKT1 P31749 1/20 0.30

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 0.88 GRM4 (0.35) KDM4EALDH1A1
SCHEMBL4168484 0.88 CHRNB2 (0.39) CHRNA7
SCHEMBL4168497 0.86 DCTPP1 (0.35) ERBB2KDM4ERAB9A
SCHEMBL4177697 0.86 PDE4B (0.30)
SCHEMBL4173830 0.83 KDM4E (0.40) CHRNA7KDM4EALDH1A1HPGDCYP2C19
SCHEMBL4167660 0.83 P4HB (0.36) KDM4EALDH1A1
SCHEMBL4177913 0.83 GRIK1 (0.37) CHRNA7KDM4EALDH1A1RAB9A
SCHEMBL4168519 0.82 RELA (0.41) CHRNA7KDM4EALDH1A1HPGDRAB9A
SCHEMBL4174113 0.82 NFE2L2 (0.36)
SCHEMBL4167639 0.81 CHRNB2 (0.32) CHRNA7

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 CHRNA7 1071/4885ERBB2 2983/4885KDM4E 1142/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX CHRNA7 3041/4885ERBB2 1895/4885KDM4E 1092/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 CHRNA7 1390/4885ERBB2 2788/4885KDM4E 1200/4885

“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.