SCHEMBL1817408

SCHEMBL1817408

Cc1cc(C(n2nc(C(F)(F)F)cc2C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1818548 0.86 PTGS1 (0.42) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1812513 0.78 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1819496 0.78 MEN1 (0.44) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL1813478 0.77 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2261135 0.76 PTGS1 (0.43) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL1813444 0.73 ALDH1A1 (0.49) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1842685 0.73 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7316872 0.72 ORAI1 (0.63) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL1823158 0.72 ABCC9 (0.64) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1825660 0.72 ABCC9 (0.58) KDM4EALDH1A1L3MBTL1LMNAKMT2A

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-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
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 KDM4E 849/4885ALDH1A1 271/4885L3MBTL1 637/4885

“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.