SCHEMBL13628223

SCHEMBL13628223

O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALDH1A1 P00352 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
MAPT P10636 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL13628145 0.94 POLB (0.42) POLBALDH1A1L3MBTL1GAACASP1
SCHEMBL13627978 0.88 MAPK8 (0.40) POLBALDH1A1RAB9ANPC1KDM4E
SCHEMBL21067347 0.88 MAPK8 (0.40) POLBALDH1A1RAB9ANPC1KDM4E
SCHEMBL13627961 0.86 MAPK8 (0.40) POLBALDH1A1MAPTRAB9ANPC1
SCHEMBL13628226 0.85 MAPK8 (0.40) POLBALDH1A1L3MBTL1GAARAB9A
SCHEMBL13628213 0.85 UCHL1 (0.40) POLBALDH1A1RAB9ANPC1KDM4E
SCHEMBL13628317 0.85 MAPK8 (0.38) POLBALDH1A1RAB9ANPC1KDM4E
SCHEMBL14269960 0.85 UCHL3 (0.43) POLBALDH1A1GAAMAPTKMT2A
SCHEMBL14269986 0.85 POLB (0.39) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL13628207 0.84 MEN1 (0.41) POLBALDH1A1L3MBTL1GAACASP3

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.