SCHEMBL13628123

SCHEMBL13628123

COC(=O)c1cccc(CN2C(=O)/C(=N/O)c3ccc(CBr)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.51
MAPT P10636 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.43
GSK3B P49841 1/20 0.42
TGM2 P21980 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL13910942 1.00 TRPA1 (0.51) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13628102 0.83 TRPA1 (0.48) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13628107 0.83 TRPA1 (0.50) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13628096 0.82 TRPA1 (0.47) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13628116 0.81 TRPA1 (0.47) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13910829 0.81 TRPA1 (0.47) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13628131 0.81 TRPA1 (0.47) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13637451 0.78 TRPA1 (0.45) TRPA1MAPTL3MBTL1TP53GSK3B
SCHEMBL13628126 0.75 HSD17B10 (0.39) MAPTMAPK1HSD17B10GAAKMT2A
SCHEMBL28212 0.75 LOXL2 (0.70) MAPTLOXL2ABHD6CYP4F2CYP4A11

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 4561/4885MAPT 1666/4885L3MBTL1 1679/4885

“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.