SCHEMBL9937018

SCHEMBL9937018

C#Cc1ccc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.60
MAPT P10636 6/20 0.45
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
GRM6 O15303 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
PTPN11 Q06124 1/20 0.41
MAPK1 P28482 1/20 0.40
KAT2B Q92831 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39

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
SCHEMBL8143514 0.87 VCAM1 (0.66) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL9793498 0.87 PTPN11 (0.49) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL1800085 0.86 VCAM1 (0.60) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL28326042 0.84 VCAM1 (0.62) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16953617 0.83 VCAM1 (0.60) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11689602 0.80 TSHR (0.50) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11477482 0.78 VCAM1 (0.68) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL82629 0.77 VCAM1 (0.66) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL404745 0.75 VCAM1 (0.64) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL1343562 0.75 VCAM1 (1.00) VCAM1MAPTGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651921-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-10-23 EP disclosed
US-20130253011-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 US disclosed
US-20130253011-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-09-26 US disclosed
CN-103261188-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2013-08-21 CN disclosed
WO-2012080376-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO disclosed
WO-2012080376-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 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-20130253011-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 VCAM1 4696/4885MAPT 3562/4885GRIA1 3993/4885

“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.