SCHEMBL13627895

SCHEMBL13627895

O=C1/C(=N\O)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
APP P05067 9/20 0.58
SNCA P37840 9/20 0.58
CASP1 P29466 1/20 0.54
CASP3 P42574 1/20 0.54
CASP4 P49662 1/20 0.54
CASP7 P55210 1/20 0.54
CASP9 P55211 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL13627951 0.87 ALDH1A1 (0.72) MAPTAPPSNCACASP1CASP3
SCHEMBL13627910 0.85 CASP1 (0.72) MAPTAPPSNCACASP1CASP3
SCHEMBL7611051 0.84 ALDH1A1 (0.66) MAPTAPPSNCACASP3ALDH1A1
SCHEMBL7611054 0.84 ALDH1A1 (0.66) MAPTAPPSNCACASP3ALDH1A1
SCHEMBL13627938 0.83 CA12 (0.52) MAPTAPPSNCACASP1CASP3
SCHEMBL13627904 0.83 ACHE (0.53) MAPTAPPSNCACASP1CASP3
SCHEMBL13627920 0.83 MAPT (0.52) MAPTAPPSNCACASP1CASP3
SCHEMBL18954667 0.83 ALDH1A1 (0.74) MAPTAPPSNCACASP1CASP3
SCHEMBL13627881 0.83 CES1 (0.67) MAPTALDH1A1CA12CA1CA9
SCHEMBL13627887 0.82 MAPT (0.66) MAPTAPPSNCACASP1CASP3

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 1666/4885APP 1510/4885SNCA 3383/4885

“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.