SCHEMBL3782833

SCHEMBL3782833

COc1nc(OC)nc(C(SC)c2cccc(OC)c2N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 2/20 0.33
DCPS Q96C86 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR5A P47898 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL4227708 0.85
SCHEMBL2287644 0.85 NPC1 (0.32) NPC1RAB9A
SCHEMBL2287297 0.85 HSP90AA1 (0.32) GAACYP3A4MAPTALDH1A1HSP90AA1
SCHEMBL3781495 0.85 KDM4E (0.39) MCHR1GAATDP1ATMDCPS
SCHEMBL2289763 0.85
SCHEMBL9960647 0.81 ALDH1A1 (0.34) TDP1ATMMAPTALDH1A1ADRA2B
SCHEMBL2285873 0.77 GAA (0.30) GAAMAPT
SCHEMBL2285602 0.77
SCHEMBL3776049 0.75 KDM4E (0.33) KDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL2287278 0.74

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 MCHR1 216/4885GAA 3768/4885TDP1 3596/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 MCHR1 240/4885GAA 3646/4885TDP1 3680/4885

“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.