SCHEMBL5866501

SCHEMBL5866501

NC(=O)c1cccc2c1C(=O)c1c(C(N)=O)cccc1-2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.69
NFE2L2 Q16236 1/20 0.69
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
BCAT2 O15382 1/20 0.50
PARP1 P09874 3/20 0.49
AURKA O14965 1/20 0.49
CCNE2 O96020 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
PDK2 Q15119 1/20 0.47
GRK6 P43250 1/20 0.47
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL7829487 0.90 KEAP1 (0.73) KEAP1NFE2L2ALDH1A1MAPTLMNA
SCHEMBL7121384 0.86 KEAP1 (0.86) KEAP1NFE2L2ALDH1A1MAPTLMNA
SCHEMBL30268664 0.83 KEAP1 (0.70) KEAP1NFE2L2ALDH1A1MAPTLMNA
SCHEMBL3605803 0.83 KEAP1 (0.75) KEAP1NFE2L2ALDH1A1MAPTLMNA
SCHEMBL4930390 0.82 KEAP1 (1.00) KEAP1NFE2L2ALDH1A1MAPTLMNA
SCHEMBL5866519 0.80 ALDH1A1 (0.81) ALDH1A1MAPTLMNAL3MBTL1NPC1
SCHEMBL3544809 0.78 KEAP1 (0.58) KEAP1NFE2L2ALDH1A1MAPTBCAT2
SCHEMBL2763213 0.76 KEAP1 (0.56) KEAP1NFE2L2ALDH1A1MAPTBCAT2
SCHEMBL10339858 0.76 KEAP1 (0.56) KEAP1NFE2L2ALDH1A1L3MBTL1BCAT2
SCHEMBL1512156 0.75 KEAP1 (0.65) KEAP1NFE2L2ALDH1A1MAPTLMNA

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-1349822-B1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-7018685-B2 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2006-03-28 US disclosed
US-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2004-07-01 US disclosed
EP-1349822-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2003-10-08 EP disclosed
WO-2002055463-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-07-18 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-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures AFF1, AFF2, FLI1 KEAP1 2750/4885NFE2L2 1534/4885ALDH1A1 2672/4885

“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.