SCHEMBL3777175

SCHEMBL3777175

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
HTR6 P50406 2/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CD44 P16070 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DHFR P00374 2/20 0.33
LTA4H P09960 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 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) ATP4AATP4BHTR6MAPK1TSHR
SCHEMBL3783003 0.84 ATP4A (0.36) ATP4AATP4BHTR6ADORA3ADORA2A
SCHEMBL2286796 0.83 HTR6 (0.38) HTR6ADORA3ADORA2AADORA1KDM4E
SCHEMBL3739891 0.83 ADORA2A (0.36) HTR6MAPK1ADORA3ADORA2AADORA1
SCHEMBL4217671 0.83 ADORA3 (0.35) HTR6MAPK1TSHRADORA3ADORA2A
SCHEMBL2289349 0.83 HTR6 (0.38) HTR6MAPK1ADORA3ADORA2AADORA1
SCHEMBL3770981 0.76 BACE1 (0.32) ADORA3ADORA2AADORA1DHFRCA1
SCHEMBL13062428 0.76 ADORA3 (0.40) ATP4AATP4BHTR6MAPK1TSHR
SCHEMBL2247538 0.75 CD44 (0.54) ATP4AATP4BTSHRTDP1CD44
SCHEMBL2283485 0.74 BACE1 (0.32) HTR6MAPK1TSHRADORA3ADORA2A

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 932/4885HTR6 438/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 ATP4A 618/4885ATP4B 958/4885HTR6 479/4885

“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.