SCHEMBL13627964

SCHEMBL13627964

COc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 4/20 0.53
UCHL1 P09936 4/20 0.53
CHRM5 P08912 3/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 2/20 0.48
ALDH3A1 P30838 2/20 0.48
ALDH2 P05091 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CMA1 P23946 1/20 0.47

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
SCHEMBL13627966 0.92 UCHL3 (0.52) UCHL3UCHL1CHRM5CA1CA2
SCHEMBL13627874 0.89 ALDH3A1 (0.56) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627970 0.87 CHRM5 (0.53) UCHL3UCHL1CHRM5CA1CA2
SCHEMBL13627931 0.86 CA1 (0.56) UCHL3UCHL1CA1CA2CA12
SCHEMBL13628004 0.84 CHRM5 (0.74) CHRM5
SCHEMBL13627928 0.84 ALDH3A1 (0.51) UCHL3UCHL1CHRM5CA1CA2
SCHEMBL13627950 0.84 MAPT (0.59) CHRM5CA1CA2CA12CA9
SCHEMBL13627927 0.84 ALDH3A1 (0.68) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627888 0.83 APAF1 (0.60) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627889 0.81 ACHE (0.54) UCHL3UCHL1CA1CA2CA12

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
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
EP-1175399-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) VERTEX PHARMA (US) 2009-03-11 EP 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 UCHL3 1695/4885UCHL1 1562/4885CHRM5 4815/4885

“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.