SCHEMBL2287014

SCHEMBL2287014

COc1cc(OC)nc(C(F)c2ccc(Cl)c(F)c2N)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.33
IDO1 P14902 1/20 0.31
ADORA2B P29275 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL2288804 0.88 TDO2 (0.32) TDO2NPC1ALDH1A1RAB9A
SCHEMBL2286463 0.86 TDO2 (0.31) TDO2ADORA2BNPC1ALDH1A1RAB9A
SCHEMBL2288833 0.86 TDO2 (0.32) TDO2NPC1ALDH1A1RAB9A
SCHEMBL2292898 0.85 TDO2 (0.31) TDO2
SCHEMBL2285356 0.84 TDO2 (0.35) TDO2IDO1NPC1ALDH1A1RAB9A
SCHEMBL2286367 0.83
SCHEMBL2286995 0.82 HSP90AA1 (0.37) TDO2NPC1ALDH1A1RAB9A
SCHEMBL2289360 0.80 TDO2 (0.32) TDO2IDO1
SCHEMBL2289577 0.79 TDO2 (0.33) TDO2IDO1NPC1ALDH1A1RAB9A
SCHEMBL2288948 0.78 TDO2 (0.38) TDO2IDO1

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 3 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

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 637/4885IDO1 559/4885ADORA2B 4360/4885

“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.