SCHEMBL13628145

SCHEMBL13628145

O=C1/C(=N\O)c2ccc([N+](=O)[O-])cc2N1Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP4 P49662 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL13628223 0.94 POLB (0.42) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL13628207 0.88 MEN1 (0.41) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL13628150 0.86 MAPK8 (0.38) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL13628063 0.85 POLB (0.38) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL13628066 0.85 MAPK8 (0.36) POLBALDH1A1L3MBTL1GAAKDM4E
SCHEMBL13627961 0.85 MAPK8 (0.40) POLBALDH1A1MAPTPKMKDM4E
SCHEMBL13628065 0.84 NPC1 (0.37) POLBALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL13628148 0.84 MAPK8 (0.37) POLBALDH1A1L3MBTL1GAAKDM4E
SCHEMBL13628090 0.84 POLB (0.36) POLBALDH1A1KDM4ETDP1HSP90AA1
SCHEMBL21067347 0.83 MAPK8 (0.40) POLBALDH1A1KDM4ETDP1RAB9A

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 POLB 2623/4885ALDH1A1 4310/4885L3MBTL1 1679/4885

“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.