SCHEMBL4959692

SCHEMBL4959692

COC(O)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PCTP Q9UKL6 1/20 0.32
STARD10 Q9Y365 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL31119438 0.78 KMT2A (0.40) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL31119425 0.78 L3MBTL1 (0.42) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL11767521 0.78 L3MBTL1 (0.42) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL12199226 0.73 LMNA (0.33) LMNAHTTKMT2AL3MBTL1
SCHEMBL996540 0.73 KMT2A (0.44) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL7412921 0.71 KMT2A (0.40) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL1979476 0.69 KMT2A (0.46) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL11256258 0.69 KMT2A (0.42) LMNAHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL29457422 0.69 LMNA (0.36) LMNAHTTKMT2AL3MBTL1KDM4E
SCHEMBL3674235 0.69 LMNA (0.43) LMNAHTTKMT2AL3MBTL1ALDH1A1

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-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 LMNA 2364/4885HTT 4249/4885KMT2A 1686/4885

“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.