SCHEMBL13628105

SCHEMBL13628105

O=C1/C(=N/O)c2ccc(-c3ccc4ccccc4c3)cc2N1CCOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
CHRM5 P08912 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PLA2G7 Q13093 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.38
MITF O75030 1/20 0.37
PKM P14618 1/20 0.37
RCE1 Q9Y256 2/20 0.37
POLB P06746 1/20 0.37
HTR3E A5X5Y0 1/20 0.36

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
SCHEMBL13628099 0.86 RAB9A (0.46) MAPTALDH1A1LMNACHRM5KMT2A
SCHEMBL13628094 0.85 MAPT (0.44) MAPTALDH1A1LMNACHRM5KMT2A
SCHEMBL13628128 0.83 MAPT (0.42) MAPTALDH1A1LMNACHRM5KMT2A
SCHEMBL13628109 0.79 CCNC (0.41) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL13628085 0.74 KDM4E (0.47) MAPTKMT2AMEN1MAPK1RAB9A
SCHEMBL13628107 0.72 TRPA1 (0.50) MAPTMAPK1L3MBTL1POLB
SCHEMBL13628098 0.72 HTR1A (0.49) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL13628106 0.69 CYP19A1 (0.47) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL13628087 0.68 CTSD (0.32) MAPTALDH1A1LMNACHRM5KMT2A
SCHEMBL13628111 0.67 PTPRC (0.43) MAPTALDH1A1KMT2AMEN1RAB9A

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 5 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
EP-1175399-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) VERTEX PHARMA (US) 2009-03-11 EP 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.