SCHEMBL13637451

SCHEMBL13637451

COC(=O)c1cccc(CN2C(=O)/C(=N/O)c3ccc(C4C=c5ccccc5=CC4)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
GSK3B P49841 1/20 0.44
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
IDO1 P14902 1/20 0.37
THRB P10828 1/20 0.37
TGM2 P21980 1/20 0.37
MAPK10 P53779 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL13628107 0.78 TRPA1 (0.50) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL13910942 0.78 TRPA1 (0.51) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL13628123 0.78 TRPA1 (0.51) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL13628102 0.75 TRPA1 (0.48) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL13628096 0.74 TRPA1 (0.47) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL13910829 0.74 TRPA1 (0.47) TRPA1GSK3BMAPTL3MBTL1ROCK2
SCHEMBL13628116 0.74 TRPA1 (0.47) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL13628131 0.74 TRPA1 (0.47) TRPA1GSK3BMAPTL3MBTL1ROCK2
SCHEMBL31753576 0.68 KMT2A (0.70) TRPA1GSK3BMAPTL3MBTL1POLB
SCHEMBL1164954 0.68 KMT2A (0.70) TRPA1GSK3BMAPTL3MBTL1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 TRPA1 4561/4885GSK3B 266/4885MAPT 1666/4885

“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.