SCHEMBL854889

SCHEMBL854889

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.41
AAK1 Q2M2I8 1/20 0.38
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GPR35 Q9HC97 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL854865 0.83 MAPT (0.46) CYP3A4ALDH1A1TSHRGPR35KDM4E
SCHEMBL855671 0.81 TDP1 (0.50) CYP3A4ALDH1A1TSHRLMNAGPR35
SCHEMBL855457 0.81 TSHR (0.36) CYP3A4ALDH1A1TSHRLMNAGPR35
SCHEMBL3649190 0.80 CYP19A1 (0.46) CYP19A1AAK1CYP3A4ALDH1A1TSHR
SCHEMBL855859 0.79 VCAM1 (0.42) CYP19A1CYP3A4ALDH1A1TSHRLMNA
SCHEMBL855601 0.78 ALDH1A1 (0.53) ALDH1A1LMNAMAPT
SCHEMBL4312639 0.76 LOXL2 (0.52) ALDH1A1TSHRPOLB
SCHEMBL9488146 0.75 KAT2B (0.49) CYP19A1AAK1CYP3A4ALDH1A1TSHR
SCHEMBL15248984 0.75 ALDH1A1 (0.47) CYP19A1AAK1CYP3A4ALDH1A1TSHR
SCHEMBL27748882 0.75 CYP19A1 (0.43) CYP19A1AAK1CYP3A4ALDH1A1TSHR

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 CYP19A1 96/4885AAK1 1959/4885CYP3A4 205/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP19A1 75/4885AAK1 1558/4885CYP3A4 173/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP19A1 75/4885AAK1 1558/4885CYP3A4 173/4885

“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.