SCHEMBL13627875

SCHEMBL13627875

O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 4/20 0.53
UCHL1 P09936 4/20 0.53
ALDH3A1 P30838 6/20 0.48
ALDH1A1 P00352 2/20 0.48
ALDH2 P05091 2/20 0.48
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA4 P22748 1/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL12856311 0.85 ALDH1A1 (0.47) ALDH3A1ALDH1A1ALDH2CA1CA2
SCHEMBL13627927 0.84 ALDH3A1 (0.68) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627874 0.84 ALDH3A1 (0.56) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627888 0.81 APAF1 (0.60) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627933 0.81 TP53 (0.53) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627932 0.81 CA1 (0.59) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13910749 0.80 ALDH1A1 (0.58) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627928 0.80 ALDH3A1 (0.51) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627931 0.80 CA1 (0.56) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2
SCHEMBL13627934 0.79 UCHL3 (0.50) UCHL3UCHL1ALDH3A1ALDH1A1ALDH2

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 UCHL3 1695/4885UCHL1 1562/4885ALDH3A1 4247/4885

“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.