Sugi Predict

Sugi Predict / Compounds / SCHEMBL3201600

SCHEMBL3201600

SCHEMBL3201600

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(F)c(C#N)c([N+](=O)[O-])c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ RORC P51449 1/20 0.34
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 3/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ HTT P42858 1/20 0.30
▸ KCNMA1 Q12791 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
SCHEMBL3224798 0.87 RORC (0.37) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL3222031 0.83 KDM4E (0.35) ALDH1A1HPGDMAOAMAOBKDM4E
SCHEMBL13424937 0.80 MAPK10 (0.44) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3212646 0.79 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3216577 0.76 RORC (0.50) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL1844350 0.74 KCNMA1 (0.51) MEN1KMT2ARORCALDH1A1RAB9A
SCHEMBL3220394 0.74 RORC (0.53) MEN1KMT2ARORCMAPTALDH1A1
SCHEMBL3216773 0.73 CYP1A2 (0.37) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL13455946 0.73 CYP1A2 (0.34) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3224461 0.73 KDM4E (0.36) MEN1KMT2AMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 — — EP disclosed
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 — — EP disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 — — US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 — — US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 — — US disclosed
EP-2120556-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-25 — — EP disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 — — WO disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 — — 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 (1 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-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 MEN1 860/4885KMT2A 2178/4885RORC 4744/4885

“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.