SCHEMBL1812445

SCHEMBL1812445

Cc1cc(C(O)(c2ccccc2)C(F)(F)F)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NR1H2 P55055 2/20 0.42
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
HPRT1 P00492 1/20 0.37
NR1I2 O75469 1/20 0.36
RORC P51449 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL1816134 0.78 CYP19A1 (0.55) TDP1ALDH1A1NR1H2MAPTLMNA
SCHEMBL13734407 0.77 PTPRC (0.52) TDP1ALDH1A1LMNATSHRCES2
SCHEMBL1813640 0.76 NR1H2 (0.43) TDP1ALDH1A1NR1H2MAPTLMNA
SCHEMBL1815281 0.76 HSD11B1 (0.49) TDP1ALDH1A1HSD11B1
SCHEMBL3420846 0.74 NR1H2 (0.43) NR1H2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5865852 0.74 TSHR (0.52) ALDH1A1NR1H2MAPTLMNATSHR
SCHEMBL1810895 0.74 ABCC9 (0.57) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5865830 0.71 NR1H2 (0.51) ALDH1A1NR1H2LMNAL3MBTL1TSHR
SCHEMBL1812412 0.71 NR1H2 (0.43) NR1H2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL550419 0.71 TSHR (0.44) TDP1ALDH1A1MAPTGAATSHR

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
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 TDP1 3523/4885ALDH1A1 271/4885NR1H2 3059/4885

“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.