SCHEMBL2289151

SCHEMBL2289151

COc1cc(OC)nc(C(Cl)c2ccc(F)cc2N)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2286202 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2284495 0.89 EDNRB (0.33) EDNRBEDNRAGAAALDH1A1NPC1
SCHEMBL2285496 0.84 CYP3A4 (0.36) EDNRBEDNRAGAAALDH1A1NPC1
SCHEMBL5502816 0.82 LMNA (0.31)
SCHEMBL2290050 0.81 EDNRB (0.32) EDNRBEDNRAGAAALDH1A1NPC1
SCHEMBL5501730 0.80 EDNRB (0.36) EDNRBEDNRAGAAALDH1A1NPC1
SCHEMBL2286531 0.79 TDO2 (0.32) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2286463 0.78 TDO2 (0.31) ALDH1A1NPC1RAB9A
SCHEMBL2285877 0.78 TDO2 (0.33) EDNRBEDNRAALDH1A1NPC1RAB9A
SCHEMBL2285306 0.78 GAA (0.36) GAAALDH1A1NPC1RAB9AL3MBTL1

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-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 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 (1 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 EDNRB 2225/4885EDNRA 1567/4885GAA 2292/4885

“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.