SCHEMBL855859

SCHEMBL855859

N#Cc1cc(CN=C=O)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.42
MAPT P10636 5/20 0.40
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
GRM6 O15303 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6236219 0.81 VCAM1 (0.46) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL854865 0.80 MAPT (0.46) MAPTPOLBHPGDBLMTDP1
SCHEMBL855671 0.79 TDP1 (0.50) VCAM1MAPTPOLBTDP1ALDH1A1
SCHEMBL855457 0.79 TSHR (0.36) MAPTALOX15POLBTDP1ALDH1A1
SCHEMBL854889 0.79 CYP19A1 (0.41) MAPTPOLBALDH1A1LMNACYP3A4
SCHEMBL16956496 0.78 VCAM1 (0.46) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL29151814 0.77 GRIA1 (0.46) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL855601 0.76 ALDH1A1 (0.53) VCAM1MAPTCYP1A2TDP1ALDH1A1
SCHEMBL854704 0.75 DPP4 (0.40)
SCHEMBL22664328 0.75 VCAM1 (0.43) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
EP-2242739-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2014-11-12 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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 (3 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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 VCAM1 4846/4885MAPT 4128/4885GRIA1 2746/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 VCAM1 4830/4885MAPT 4047/4885GRIA1 2892/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 VCAM1 4830/4885MAPT 4047/4885GRIA1 2892/4885

“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.