SCHEMBL13627920

SCHEMBL13627920

Cc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CASP3 P42574 2/20 0.50
CASP7 P55210 2/20 0.50
CASP1 P29466 1/20 0.50
CASP4 P49662 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50

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
SCHEMBL13627912 0.93 MAPT (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627921 0.88 ACHE (0.58) MAPTALDH1A1LMNACA12CA1
SCHEMBL13627938 0.86 CA12 (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627904 0.86 ACHE (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627913 0.86 CASP1 (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627887 0.85 MAPT (0.66) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627889 0.84 ACHE (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627911 0.84 CASP3 (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627910 0.84 CASP1 (0.72) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13627895 0.83 MAPT (0.58) MAPTALDH1A1LMNAHPGDHTT

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 2 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-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 MAPT 1666/4885ALDH1A1 4310/4885LMNA 2123/4885

“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.