SCHEMBL2289577

SCHEMBL2289577

COc1cc(OC)nc(C(F)c2c(Cl)ccc(Cl)c2N)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 4/20 0.31
HSP90AB1 P08238 3/20 0.31
IDO1 P14902 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL2288948 0.90 TDO2 (0.38) TDO2IDO1
SCHEMBL2286162 0.90 TDO2 (0.38) TDO2NPC1ALDH1A1RAB9AIDO1
SCHEMBL2286141 0.84 NPC1 (0.33) NPC1ALDH1A1RAB9AL3MBTL1HSP90AA1
SCHEMBL2286568 0.82 CYP3A4 (0.32) NPC1ALDH1A1RAB9AL3MBTL1HSP90AA1
SCHEMBL2288804 0.80 TDO2 (0.32) TDO2NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2286995 0.80 HSP90AA1 (0.37) TDO2NPC1ALDH1A1RAB9AHSP90AA1
SCHEMBL2287597 0.80 ALDH1A1 (0.31) NPC1ALDH1A1RAB9AL3MBTL1HSP90AA1
SCHEMBL2291939 0.79 TDO2 (0.35) TDO2NPC1ALDH1A1RAB9AIDO1
SCHEMBL2287014 0.79 TDO2 (0.33) TDO2NPC1ALDH1A1RAB9AIDO1
SCHEMBL2289460 0.78 TDO2 (0.35) TDO2ALDH1A1IDO1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
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 TDO2 637/4885NPC1 3382/4885ALDH1A1 1037/4885

“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.