SCHEMBL13628179

SCHEMBL13628179

COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
THRB P10828 2/20 0.53
MAPT P10636 6/20 0.52
TP53 P04637 3/20 0.52
POLB P06746 2/20 0.49
NAMPT P43490 1/20 0.46
KMT2A Q03164 1/20 0.42

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
SCHEMBL13637629 0.86 MAPT (0.42) SMN1; SMN2THRBMAPTTP53POLB
SCHEMBL13628176 0.86 POLB (0.40) SMN1; SMN2THRBMAPTPOLBKMT2A
SCHEMBL13628172 0.86 LMNA (0.42) MAPTTP53POLBNAMPT
SCHEMBL13628240 0.86 MAPT (0.46) SMN1; SMN2THRBMAPTTP53POLB
SCHEMBL13628239 0.86 TP53 (0.41) SMN1; SMN2THRBMAPTTP53POLB
SCHEMBL13628233 0.83 CACNA1G (0.49) POLB
SCHEMBL13628241 0.83 CACNA1G (0.51) POLB
SCHEMBL13628236 0.83 GALR3 (0.36) SMN1; SMN2THRBMAPTTP53POLB
SCHEMBL13628188 0.82 NPSR1 (0.41) SMN1; SMN2POLBKMT2A
SCHEMBL13628180 0.82 POLB (0.43) MAPTTP53POLB

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 SMN1; SMN2 3544/4885THRB 3146/4885MAPT 1666/4885

“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.