SCHEMBL13627946

SCHEMBL13627946

O=C1/C(=N\O)c2cc(F)ccc2N1Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
TRPA1 O75762 1/20 0.52
CA12 O43570 3/20 0.48
CHRM5 P08912 2/20 0.46
PARK7 Q99497 2/20 0.45
ALDH1A1 P00352 5/20 0.45
ALDH3A1 P30838 5/20 0.45
EGFR P00533 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL13627936 0.91 TRPA1 (0.62) TRPA1CHRM5PARK7ALDH1A1ALDH3A1
SCHEMBL13627948 0.90 TRPA1 (0.48) UBE2NTDP1CA1CA2CA9
SCHEMBL13627932 0.90 CA1 (0.59) UBE2NTDP1CA1CA2CA9
SCHEMBL13627923 0.90 UBE2N (0.52) UBE2NTDP1CA1CA2CA9
SCHEMBL13627908 0.90 CA1 (0.58) UBE2NTDP1CA1CA2CA9
SCHEMBL13627897 0.90 UBE2N (0.63) UBE2NTDP1CA1CA2CA9
SCHEMBL13910783 0.89 TRPA1 (0.53) UBE2NTDP1CA1CA2CA9
SCHEMBL13910788 0.88 TRPA1 (0.47) UBE2NTDP1CA1CA2CA9
SCHEMBL13627937 0.88 CHRM5 (0.55) UBE2NCA1CA2CA9TRPA1
SCHEMBL13627972 0.86 ALDH1A1 (0.57) UBE2NTDP1CA1CA2CA9

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 UBE2N 1915/4885TDP1 1524/4885CA1 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.