SCHEMBL854865

SCHEMBL854865

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
TSHR P16473 5/20 0.45
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
CYP3A4 P08684 2/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GPR35 Q9HC97 1/20 0.37
BLM P54132 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL855671 0.83 TDP1 (0.50) MAPTTSHRCYP3A4RAB9AMEN1
SCHEMBL854889 0.83 CYP19A1 (0.41) MAPTTSHRCYP3A4ALDH1A1GPR35
SCHEMBL855457 0.83 TSHR (0.36) MAPTNR3C1PGRARTSHR
SCHEMBL855859 0.80 VCAM1 (0.42) MAPTTSHRHPGDCYP3A4RAB9A
SCHEMBL27837847 0.80 MAPT (0.49) MAPTNR3C1PGRARTSHR
SCHEMBL508871 0.80 MAPT (0.51) MAPTNR3C1PGRARTSHR
SCHEMBL855601 0.79 ALDH1A1 (0.53) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14270203 0.78 MAPT (0.44) MAPTNR3C1PGRARTSHR
SCHEMBL4312639 0.78 LOXL2 (0.52) TSHRHSD17B10ALDH1A1POLB
SCHEMBL13344094 0.78 MAPT (0.53) MAPTNR3C1PGRARTSHR

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 MAPT 4128/4885NR3C1 4268/4885PGR 4531/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 MAPT 4047/4885NR3C1 4117/4885PGR 4405/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 MAPT 4047/4885NR3C1 4117/4885PGR 4405/4885

“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.