SCHEMBL855591

SCHEMBL855591

CC(=O)NCc1ccc(CN=C=O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 1/20 0.35
MTNR1A P48039 1/20 0.35
HTT P42858 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL27825579 0.87 KDM4E (0.43) ALDH1A1MAPTKDM4EMTNR1A
SCHEMBL861177 0.86 KMT2A (0.40) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL853998 0.84 BDKRB1 (0.44) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL855039 0.84 KMT2A (0.38) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL12942925 0.83 HDAC1 (0.45) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL855405 0.82 SETDB1 (0.41) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL12942929 0.80 HDAC1 (0.45) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL12942927 0.79 HDAC6 (0.44) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL2697301 0.78 SETDB1 (0.38) SETDB1HDAC1HDAC6KMT2AALDH1A1
SCHEMBL24185372 0.77 NOS2 (0.47) HDAC1HDAC6KMT2AALDH1A1MAPT

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 SETDB1 4523/4885HDAC1 189/4885HDAC6 648/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 SETDB1 4416/4885HDAC1 134/4885HDAC6 575/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 SETDB1 4416/4885HDAC1 134/4885HDAC6 575/4885

“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.