SCHEMBL3783003

SCHEMBL3783003

CCc1cccc(Cc2nc(OC)nc(OC)n2)c1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
HTR6 P50406 1/20 0.34
ELANE P08246 1/20 0.34
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 2/20 0.33
POLB P06746 1/20 0.33
CACNA1C Q13936 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL3781459 0.84 ADORA3 (0.43) ATP4AATP4BADORA3ADORA2AADORA1
SCHEMBL3777175 0.84 ATP4A (0.39) ATP4AATP4BADORA3ADORA2AADORA1
SCHEMBL3739891 0.83 ADORA2A (0.36) ADORA3ADORA2AADORA1CA1CA2
SCHEMBL2286796 0.83 HTR6 (0.38) ADORA3ADORA2AADORA1HTR6
SCHEMBL4217671 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA1CA1CA2
SCHEMBL2289349 0.83 HTR6 (0.38) ADORA3ADORA2AADORA1HTR6
SCHEMBL13062428 0.76 ADORA3 (0.40) ATP4AATP4BADORA3ADORA2AADORA1
SCHEMBL350947 0.75 GABRA1 (0.54) ATP4AATP4BELANEKCNH2SCN5A
SCHEMBL2283485 0.74 BACE1 (0.32) ADORA3ADORA2AADORA1CA1CA2
SCHEMBL2287061 0.74 GAA (0.35) ADORA3ADORA2AADORA1CA1CA2

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
US-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
US-20090305894-A1 use of sulfonanilides as herbicide BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
EP-1928242-A2 A USE OF SULFONANILIDES AS HERBICIDE Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007031208-A2 A USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2007-03-22 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-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE CBR3, HCAR3, HCRTR1 ATP4A 641/4885ATP4B 932/4885ADORA3 931/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 ATP4A 618/4885ATP4B 958/4885ADORA3 913/4885

“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.