SCHEMBL3020566

SCHEMBL3020566

Cc1cc(Br)cc(C)c1NC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
MCL1 Q07820 1/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
WDR5 P61964 2/20 0.46
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL3211887 0.84 IRAK4 (0.49) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL3035849 0.82 MAPT (0.47) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL1724611 0.81 AKR1C2 (0.67) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL1455710 0.80 MAPT (0.62) AKR1C2AKR1C1MEN1KMT2ARAB9A
SCHEMBL1454722 0.78 KMT2A (0.65) AKR1C2AKR1C1MEN1KMT2ARAB9A
SCHEMBL15358859 0.78 AKR1C2 (0.59) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL13508178 0.78 IRAK4 (0.45) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL27864010 0.78 AKR1C2 (0.63) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL1275543 0.77 IRAK4 (0.45) AKR1C2AKR1C1IRAK4MEN1KMT2A
SCHEMBL2554714 0.77 AKR1C2 (0.54) AKR1C2AKR1C1IRAK4MEN1KMT2A

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 12 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
US-8236828-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-07 US disclosed
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
EP-2212304-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
CN-101827830-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2010-09-08 CN disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100216850-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US 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
WO-2009049844-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2009049844-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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-20100216850-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 AKR1C2 1009/4885AKR1C1 615/4885IRAK4 4377/4885

“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.