SCHEMBL3030669

SCHEMBL3030669

CCc1[c]c(C)cc(C2(C(F)(F)F)CC(c3ccc(F)cc3)=NO2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
SSTR5 P35346 6/20 0.35
PKM P14618 1/20 0.34
APAF1 O14727 1/20 0.32
HPGD P15428 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
SCHEMBL3037429 0.93 HTT (0.39) HTTABL1RIN1TDP1POLB
SCHEMBL3035865 0.91 HTT (0.43) HTTABL1RIN1TDP1POLB
SCHEMBL3040032 0.90 HTT (0.33) HTT
SCHEMBL3026323 0.90 RECQL (0.36) TDP1PKM
SCHEMBL3037028 0.88 POLB (0.37) HTTABL1RIN1TDP1POLB
SCHEMBL3032157 0.83 HTT (0.35) HTTABL1RIN1TDP1HPGD
SCHEMBL3036403 0.83 RECQL (0.38) TDP1PKM
SCHEMBL3032623 0.80 HTT (0.33) HTTABL1RIN1TDP1PKM
SCHEMBL3034059 0.80 RECQL (0.40) HTTTDP1PKMHPGD
SCHEMBL3035268 0.79 PKM (0.34) PKM

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-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
EP-2212304-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
EP-2212304-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-08-04 EP disclosed
US-20100048652-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
WO-2009049844-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
EP-2046765-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-15 EP disclosed
WO-2008012027-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-31 WO 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-20100216850-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 HTT 1178/4885ABL1 1024/4885RIN1 1459/4885
US-20100048652-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 HTT 2065/4885ABL1 1270/4885RIN1 794/4885

“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.