SCHEMBL1815281

SCHEMBL1815281

Cc1cc(C(C)(O)C(F)(F)F)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.49
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL2230167 0.77 TDP1 (0.52) ALDH1A1TDP1GPR35
SCHEMBL1812445 0.76 TDP1 (0.44) HSD11B1ALDH1A1TDP1
SCHEMBL12357800 0.75 HSD11B1 (0.52) HSD11B1
SCHEMBL1812296 0.73 HSD11B1 (0.82) HSD11B1ALDH1A1
SCHEMBL17286709 0.72 ESR1 (0.45) HSD11B1
SCHEMBL15957680 0.72 HSD11B1 (0.40) HSD11B1ALDH1A1TDP1GPR35
SCHEMBL28563246 0.71 HSD11B1 (0.40) HSD11B1ALDH1A1TDP1
SCHEMBL12170410 0.71 PTPRC (0.61) HSD11B1ALDH1A1TDP1
SCHEMBL14574215 0.71 PTPRC (0.61) HSD11B1ALDH1A1TDP1
SCHEMBL1816541 0.71 POLB (0.52) HSD11B1ALDH1A1TDP1

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
CN-102177135-A Acylaminobenzamide derivatives BAYER CROPSCIENCE AG 2011-09-07 CN disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 HSD11B1 2117/4885ALDH1A1 271/4885TDP1 3523/4885

“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.