SCHEMBL13628113

SCHEMBL13628113

O=C1/C(=N/O)c2ccc(-c3ccsc3)cc2N1CCOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
CHRM5 P08912 2/20 0.39
PLA2G7 Q13093 1/20 0.39
PTPRC P08575 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC6A9 P48067 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13628105 0.85 MAPT (0.45) MAPTALDH1A1LMNACHRM5PLA2G7
SCHEMBL13628099 0.83 RAB9A (0.46) MAPTALDH1A1LMNACHRM5PLA2G7
SCHEMBL13628111 0.82 PTPRC (0.43) MAPTALDH1A1PTPRCKMT2AMEN1
SCHEMBL13628094 0.82 MAPT (0.44) MAPTALDH1A1LMNACHRM5PLA2G7
SCHEMBL13628128 0.80 MAPT (0.42) MAPTALDH1A1LMNACHRM5PLA2G7
SCHEMBL13628117 0.78 NR4A2 (0.39) MAPTALDH1A1PTPRCKMT2AMEN1
SCHEMBL13910808 0.76 PTPRC (0.34) MAPTCHRM5PTPRCKMT2AMEN1
SCHEMBL13628085 0.71 KDM4E (0.47) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL13628114 0.69 CYP19A1 (0.46) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL13628098 0.69 HTR1A (0.49) MAPTALDH1A1LMNAKMT2AMEN1

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 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.