SCHEMBL13628102

SCHEMBL13628102

COC(=O)c1cccc(CN2C(=O)/C(=N/O)c3ccc(-c4cccc(OC)c4)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
CHRM5 P08912 1/20 0.41
CMA1 P23946 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
NEK1 Q96PY6 1/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GSK3B P49841 1/20 0.40
TGM2 P21980 1/20 0.40
TP53 P04637 2/20 0.40
CACNA1G O43497 2/20 0.40
POLB P06746 2/20 0.39

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 0.89 TRPA1 (0.50) TRPA1ROCK2ROCK1CD74MIF
SCHEMBL13628096 0.86 TRPA1 (0.47) TRPA1ROCK2ROCK1CD74MIF
SCHEMBL13628116 0.85 TRPA1 (0.47) TRPA1ROCK2ROCK1CD74MIF
SCHEMBL13910829 0.84 TRPA1 (0.47) TRPA1ROCK2ROCK1CD74MIF
SCHEMBL13628131 0.84 TRPA1 (0.47) TRPA1ROCK2ROCK1CD74MIF
SCHEMBL13628123 0.83 TRPA1 (0.51) TRPA1ROCK2ROCK1ABHD6MAPT
SCHEMBL13910942 0.83 TRPA1 (0.51) TRPA1ROCK2ROCK1ABHD6MAPT
SCHEMBL13628099 0.76 RAB9A (0.46) CHRM5MAPTL3MBTL1MEN1KMT2A
SCHEMBL13628098 0.76 HTR1A (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13637451 0.75 TRPA1 (0.45) TRPA1ROCK2ROCK1ABHD6MAPT

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-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
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
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 4561/4885ROCK2 246/4885ROCK1 214/4885

“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.