SCHEMBL3781459

SCHEMBL3781459

COc1nc(Cc2cccc(OC)c2N)nc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
HTR6 P50406 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
MCHR1 Q99705 1/20 0.38
IDO1 P14902 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LTA4H P09960 1/20 0.37
DHPS P49366 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
DCPS Q96C86 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL13062428 0.90 ADORA3 (0.40) ADORA3ADORA1ADORA2AHTR6ATP4A
SCHEMBL3783003 0.84 ATP4A (0.36) ADORA3ADORA1ADORA2AHTR6ATP4A
SCHEMBL3777175 0.84 ATP4A (0.39) ADORA3ADORA1ADORA2AHTR6ATP4A
SCHEMBL3739891 0.83 ADORA2A (0.36) ADORA3ADORA1ADORA2AHTR6IDO1
SCHEMBL3775535 0.83 ALDH1A1 (0.43) ADORA3ADORA1ADORA2AHTR6ATP4A
SCHEMBL4217671 0.83 ADORA3 (0.35) ADORA3ADORA1ADORA2AHTR6IDO1
SCHEMBL2289349 0.83 HTR6 (0.38) ADORA3ADORA1ADORA2AHTR6IDO1
SCHEMBL2286796 0.83 HTR6 (0.38) ADORA3ADORA1ADORA2AHTR6IDO1
SCHEMBL2283485 0.74 BACE1 (0.32) ADORA3ADORA1ADORA2AHTR6MAPK1
SCHEMBL2287061 0.74 GAA (0.35) ADORA3ADORA1ADORA2AHTR6DHPS

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 6 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-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
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 ADORA3 931/4885ADORA1 2200/4885ADORA2A 3496/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 ADORA3 913/4885ADORA1 2191/4885ADORA2A 3463/4885

“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.