SCHEMBL3068948

SCHEMBL3068948

O=[N+]([O-])c1cc(/C=N/O)ccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
HPGD P15428 4/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP2D6 P10635 1/20 0.46

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
SCHEMBL740207 1.00 MAPT (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL740884 1.00 MAPT (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16960708 0.81 ALDH1A1 (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL472679 0.80 CRHBP (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL472314 0.80 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL472739 0.80 MEN1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL472680 0.80 CRHBP (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL472740 0.80 MEN1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3066190 0.80 CRHBP (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL472315 0.80 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA

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-2230913-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-10-18 EP disclosed
EP-2230913-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-10-18 EP disclosed
US-8410145-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-02 US disclosed
US-8410145-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-02 US disclosed
US-8410145-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-04-02 US disclosed
US-20100273832-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
US-20100273832-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
US-20100273832-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2230913-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009077197-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-06-25 WO disclosed
WO-2009077197-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-06-25 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-20100273832-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 MAPT 3827/4885ALDH1A1 78/4885KDM4E 2992/4885

“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.