SCHEMBL13627934

SCHEMBL13627934

O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.50
UCHL1 P09936 2/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH3A1 P30838 1/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.46
CA4 P22748 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 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
SCHEMBL13627947 0.88 CHRM5 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL13627924 0.86 CA12 (0.49) CA1CA2CA12CA9ALDH1A1
SCHEMBL13627907 0.86 CA1 (0.49) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627898 0.85 ALDH1A1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL13627927 0.84 ALDH3A1 (0.68) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627916 0.82 CASP1 (0.51) CA1CA2CA12CA9ALDH1A1
SCHEMBL13627935 0.82 ACHE (0.55) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627928 0.81 ALDH3A1 (0.51) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627874 0.81 ALDH3A1 (0.56) UCHL3UCHL1CA1CA2CA12
SCHEMBL13627932 0.80 CA1 (0.59) 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 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 1562/4885CA1 3628/4885

“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.