SCHEMBL13628015

SCHEMBL13628015

O=C(Nc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.50
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
MMP13 P45452 1/20 0.48
ACE2 Q9BYF1 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL13628050 0.90 KMT2A (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL13628020 0.88 MEN1 (0.54) MEN1KMT2ACA2CA9MAPT
SCHEMBL13628027 0.87 MMP13 (0.66) MEN1KMT2ACA12CA1CA2
SCHEMBL13628019 0.86 CA1 (0.48) CA12CA1CA2CA9MMP13
SCHEMBL13628042 0.86 EDNRA (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL13628032 0.85 MMP13 (0.52) CA12CA1CA2CA9MMP13
SCHEMBL13628053 0.84 KDM4E (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL13628025 0.83 MMP13 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL13628054 0.83 CA12 (0.46) MEN1KMT2ACA12CA1CA2
SCHEMBL13628023 0.82 MMP13 (0.49) CA12CA1CA2CA9MMP13

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 MEN1 4320/4885KMT2A 3594/4885ACHE 4079/4885

“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.