SCHEMBL13627933

SCHEMBL13627933

Cc1cccc(CN2C(=O)/C(=N\O)c3cc(Cl)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ALDH3A1 P30838 2/20 0.53
ALDH2 P05091 1/20 0.53
LMNA P02545 2/20 0.53
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 1/20 0.48
UCHL3 P15374 1/20 0.47
UCHL1 P09936 1/20 0.47
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1D P25100 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAB1 Q9Y478 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
SCHEMBL13627922 0.90 ACHE (0.48) TP53ALDH1A1LMNACA1CA12
SCHEMBL13627931 0.88 CA1 (0.56) TP53ALDH1A1ALDH3A1ALDH2LMNA
SCHEMBL13627927 0.88 ALDH3A1 (0.68) ALDH1A1ALDH3A1ALDH2CA1CA2
SCHEMBL13627906 0.86 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH2LMNACA1
SCHEMBL13627932 0.86 CA1 (0.59) TP53ALDH1A1ALDH3A1ALDH2CA1
SCHEMBL13627948 0.86 TRPA1 (0.48) ALDH1A1ALDH3A1LMNACA1CA2
SCHEMBL13627889 0.85 ACHE (0.54) TP53ALDH1A1ALDH3A1ALDH2LMNA
SCHEMBL13627896 0.85 ALDH1A1 (0.53) TP53ALDH1A1ALDH3A1ALDH2LMNA
SCHEMBL13627874 0.85 ALDH3A1 (0.56) ALDH1A1ALDH3A1ALDH2LMNACA1
SCHEMBL13910749 0.85 ALDH1A1 (0.58) TP53ALDH1A1ALDH3A1ALDH2CA1

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 TP53 405/4885ALDH1A1 4310/4885ALDH3A1 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.