SCHEMBL855039

SCHEMBL855039

CC(=O)NCc1ccc(CN=C=O)cc1I

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SETDB1 Q15047 5/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
F13A1 P00488 1/20 0.35
MTNR1A P48039 1/20 0.35
VHL P40337 1/20 0.33
PCNA P12004 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL28786869 0.87 KDM4E (0.46) ALDH1A1MAPTKDM4EF13A1MTNR1A
SCHEMBL861177 0.86 KMT2A (0.40) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL853998 0.84 BDKRB1 (0.44) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL855591 0.84 SETDB1 (0.40) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL855405 0.82 SETDB1 (0.41) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL2697301 0.78 SETDB1 (0.38) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL24185372 0.77 NOS2 (0.47) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL28945087 0.76 KDM4E (0.44) ALDH1A1MAPTKDM4EF13A1MTNR1A
SCHEMBL27825579 0.74 KDM4E (0.43) ALDH1A1MAPTKDM4EF13A1MTNR1A
SCHEMBL27804931 0.74 KDM4E (0.43) ALDH1A1MAPTKDM4EF13A1MTNR1A

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 13 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
CN-102438984-A Insecticidal arylpyrrolines BAYER CROPSCIENCE AG 2012-05-02 CN 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 KMT2A 775/4885ALDH1A1 127/4885MAPT 4128/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 KMT2A 635/4885ALDH1A1 121/4885MAPT 4047/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 KMT2A 635/4885ALDH1A1 121/4885MAPT 4047/4885

“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.