SCHEMBL855601

SCHEMBL855601

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HIF1A Q16665 1/20 0.53
VCAM1 P19320 1/20 0.46
LMNA P02545 7/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37

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 0.88 TDP1 (0.50) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL6950412 0.80 ALDH1A1 (0.55) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL854865 0.79 MAPT (0.46) ALDH1A1RECQLMEN1KMT2ATDP1
SCHEMBL29494110 0.78 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL960995 0.78 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL855457 0.78 TSHR (0.36) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL854889 0.78 CYP19A1 (0.41) ALDH1A1LMNAMAPT
SCHEMBL21223903 0.78 MIF (0.38) ALDH1A1HTT
SCHEMBL14880650 0.78 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL19553615 0.77 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1LMNARECQL

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 ALDH1A1 127/4885HIF1A 4512/4885VCAM1 4846/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 ALDH1A1 121/4885HIF1A 4422/4885VCAM1 4830/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 ALDH1A1 121/4885HIF1A 4422/4885VCAM1 4830/4885

“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.