SCHEMBL855671

SCHEMBL855671

O=C=NCc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 5/20 0.36
RECQL P46063 1/20 0.36
PTGES O14684 1/20 0.36
VCAM1 P19320 1/20 0.36
ESPL1 Q14674 1/20 0.36
CTSK P43235 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR35 Q9HC97 1/20 0.34
KAT2B Q92831 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
SCHEMBL855601 0.88 ALDH1A1 (0.53) TDP1ATMALDH1A1HIF1AMEN1
SCHEMBL854865 0.83 MAPT (0.46) TDP1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL855457 0.81 TSHR (0.36) TDP1ATMALDH1A1MEN1KMT2A
SCHEMBL854889 0.81 CYP19A1 (0.41) ALDH1A1TSHRCYP3A4LMNAGPR35
SCHEMBL855859 0.79 VCAM1 (0.42) TDP1ALDH1A1RAB9ATSHRCYP3A4
SCHEMBL29490181 0.78 TDP1 (0.58) TDP1ATMALDH1A1HIF1AMEN1
SCHEMBL76729 0.78 TDP1 (0.58) TDP1ATMALDH1A1HIF1AMEN1
SCHEMBL21223903 0.78 MIF (0.38) ALDH1A1
SCHEMBL4312639 0.76 LOXL2 (0.52) ALDH1A1TSHRIDO1POLB
SCHEMBL11439528 0.75 TDP1 (0.58) TDP1ATMALDH1A1HIF1AMEN1

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 TDP1 3857/4885ATM 4798/4885ALDH1A1 127/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 TDP1 4116/4885ATM 4756/4885ALDH1A1 121/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 TDP1 4116/4885ATM 4756/4885ALDH1A1 121/4885

“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.