SCHEMBL861177

SCHEMBL861177

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SETDB1 Q15047 5/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.36
MTNR1A P48039 1/20 0.36
KLKB1 P03952 1/20 0.35
VHL P40337 1/20 0.35

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 0.90 SETDB1 (0.38) KMT2AALDH1A1MAPTKDM4ERAB9A
SCHEMBL855591 0.86 SETDB1 (0.40) KMT2AALDH1A1MAPTKDM4ERAB9A
SCHEMBL853998 0.86 BDKRB1 (0.44) KMT2AALDH1A1MAPTKDM4ERAB9A
SCHEMBL855039 0.86 KMT2A (0.38) KMT2AALDH1A1MAPTKDM4ERAB9A
SCHEMBL28945087 0.86 KDM4E (0.44) ALDH1A1MAPTKDM4EMTNR1A
SCHEMBL855405 0.84 SETDB1 (0.41) KMT2AALDH1A1MAPTKDM4ERAB9A
SCHEMBL11159589 0.80 MIF (0.34)
SCHEMBL24185372 0.79 NOS2 (0.47) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL2697304 0.79 ALDH1A1 (0.38) KMT2AALDH1A1KDM4ERAB9ANPC1
SCHEMBL28786869 0.76 KDM4E (0.46) 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 11 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
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 (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 KMT2A 775/4885ALDH1A1 127/4885MAPT 4128/4885
US-20140024680-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.