SCHEMBL855405

SCHEMBL855405

CC(=O)NCc1ccc(CN=C=O)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 5/20 0.41
CD274 Q9NZQ7 1/20 0.37
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
RORC P51449 1/20 0.33
MTNR1A P48039 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL2697301 0.95 SETDB1 (0.38) SETDB1CD274RECQLKMT2AALDH1A1
SCHEMBL2697304 0.84 ALDH1A1 (0.38) KMT2AALDH1A1KDM4ERAB9A
SCHEMBL861177 0.84 KMT2A (0.40) SETDB1KMT2AALDH1A1MAPTKDM4E
SCHEMBL855591 0.82 SETDB1 (0.40) SETDB1CD274KMT2AALDH1A1MAPT
SCHEMBL855039 0.82 KMT2A (0.38) SETDB1KMT2AALDH1A1MAPTKDM4E
SCHEMBL853998 0.82 BDKRB1 (0.44) SETDB1KMT2AALDH1A1MAPTKDM4E
SCHEMBL24185372 0.75 NOS2 (0.47) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL28945087 0.74 KDM4E (0.44) ALDH1A1MAPTKDM4EMTNR1A
SCHEMBL28786869 0.72 KDM4E (0.46) ALDH1A1MAPTKDM4EMTNR1A
SCHEMBL27825579 0.72 KDM4E (0.43) ALDH1A1MAPTKDM4EMTNR1A

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 10 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-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 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 (2 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 4523/4885CD274 4503/4885RECQL 1730/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 SETDB1 4416/4885CD274 4331/4885RECQL 2097/4885

“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.