SCHEMBL17707299

SCHEMBL17707299

CC(C)c1cccc(/N=N/c2cccc(C(C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
ALOX12 P18054 2/20 0.45
MDM4 O15151 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL17707302 1.00 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12270170 0.94 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22328175 0.87 NPC1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28416120 0.85 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14176745 0.84 NPC1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22328176 0.84 HDAC4 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21887189 0.82 RXRA (0.54) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL28389086 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8283388 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2889331 0.81 MIF (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215481-B1 METHOD FOR PRODUCING BIPHENYLAMINES FROM AZOBENZOLES BY RUTHENIUM CATALYSIS BAYER CROPSCIENCE AG (DE) 2018-12-26 EP disclosed
US-10011557-B2 Method for producing biphenylamines from azobenzenes by ruthenium catalysis BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-03 US disclosed
US-20170334832-A1 METHOD FOR PRODUCING BIPHENYLAMINES FROM AZOBENZENES BY RUTHENIUM CATALYSIS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3015452-A1 Method for the production of biphenylamines from azobenzenes using ruthenium catalysis Bayer CropScience AG (DE) 2016-05-04 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 (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-10011557-B2 Method for producing biphenylamines from azobenzenes by ruthenium catalysis AHR, CYP4B1, DDT GRIN2D 3807/4885GRIN3B 3335/4885GRIN1 3980/4885
US-20170334832-A1 METHOD FOR PRODUCING BIPHENYLAMINES FROM AZOBENZENES BY RUTHENIUM CATALYSIS AHR, CYP4B1, CYP1A1 GRIN2D 3539/4885GRIN3B 3408/4885GRIN1 3937/4885

“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.