SCHEMBL729049

SCHEMBL729049

CCc1nn(-c2ccccc2)nc1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MPO P05164 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ADORA3 P0DMS8 2/20 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
SCHEMBL29483355 0.86 KDM4E (0.54) GAAMAPK1KDM4EHPGDALDH1A1
SCHEMBL5302770 0.83 KDM4E (0.45) GAAMAPK1KDM4EHPGDCYP1A2
SCHEMBL7148312 0.77 SMN1; SMN2 (0.49) MAPK1KDM4EHPGDALDH1A1L3MBTL1
SCHEMBL12713296 0.75 KDM4E (0.49) GAAMAPK1KDM4EHPGDCYP1A2
SCHEMBL6312839 0.71 ALDH1A1 (0.64) MAPK1KDM4EHPGDALDH1A1MAPT
SCHEMBL10184561 0.71 KDM4E (0.43) GAAMAPK1KDM4EHPGDALDH1A1
SCHEMBL27549630 0.70 KDM4C (0.43) GAAMAPK1KDM4EHPGDALDH1A1
SCHEMBL14736240 0.69 TSHR (0.43) GAAMAPK1KDM4EHPGDCYP1A2
SCHEMBL11747736 0.68 P2RX7 (0.62) GAAMAPK1KDM4EHPGDALDH1A1
SCHEMBL7141368 0.66 NPC1 (0.57) GAAKDM4EHPGDCYP2C19ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324420-B2 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-04 US disclosed
CN-101891682-B Process for producing acrylonitrile compound NISSAN CHEMICAL IND LTD 2012-07-04 CN disclosed
US-8138368-B2 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20110313173-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-22 US disclosed
CN-101284814-B Method for producing acrylonitrile compound NISSAN CHEMICAL IND LTD 2011-08-17 CN disclosed
CN-101891682-A The manufacture method of acrylonitrile compound NISSAN CHEMICAL IND LTD 2010-11-24 CN disclosed
US-20100029951-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-04 US disclosed
US-7649104-B2 producing 3-acyloxyacrylonitrile compound as an agricultural and horticultural pesticide; using the produced 3-oxopropionitrile compound as the intermediate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-19 US disclosed
CN-101284814-A Method for producing acrylonitrile compound NISSAN CHEMICAL IND LTD (JP) 2008-10-15 CN disclosed
CN-100402503-C Method for producing acrylonitrile compound NISSAN CHEMICAL IND LTD (JP) 2008-07-16 CN disclosed
US-20060178523-A1 Process for producing acrylonitrile compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
CN-1768042-A Method for producing acrylonitrile compound NISSAN CHEMICAL IND LTD (JP) 2006-05-03 CN disclosed
US-6642234-B1 Insecticides, acaricides, nematocides, herbicides and fungicides, NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-04 US disclosed
EP-1142882-A9 ACRYLONITRILE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2002-10-02 EP disclosed
CN-1333759-A Acrylonitrile compounds NISSAN CHEMICAL IND LTD (JP) 2002-01-30 CN disclosed
EP-1142882-A1 ACRYLONITRILE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2001-10-10 EP 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-20060178523-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 GAA 1787/4885MAPK1 2333/4885KDM4E 1437/4885
US-20110313173-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 GAA 1787/4885MAPK1 2333/4885KDM4E 1437/4885
US-20100029951-A1 Process for producing acrylonitrile compound ZYX, ACR, ZDHHC9 GAA 1787/4885MAPK1 2333/4885KDM4E 1437/4885

“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.