SCHEMBL13628111

SCHEMBL13628111

O=C1c2ccccc2C(=O)N1CCCN1C(=O)/C(=N/O)c2ccc(-c3ccsc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PDK2 Q15119 1/20 0.36
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR6 P50406 1/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13628085 0.87 KDM4E (0.47) KDM4EHTR1ATDP1L3MBTL1MAPT
SCHEMBL13628104 0.84 KDM4E (0.44) KDM4EHDAC8HDAC4HDAC2MAPT
SCHEMBL13910808 0.82 PTPRC (0.34) PTPRCKDM4EMAPTMEN1CASP1
SCHEMBL13628117 0.82 NR4A2 (0.39) PTPRCDRD2HDAC1HDAC6MAPT
SCHEMBL13628113 0.82 MAPT (0.42) PTPRCTDP1L3MBTL1MAPTRAB9A
SCHEMBL13628093 0.81 MMP2 (0.45) KDM4EMEN1KMT2A
SCHEMBL13628098 0.79 HTR1A (0.49) KDM4EHTR1ADRD2HTR2AHTR6
SCHEMBL13628125 0.79 HTT (0.41) KDM4ETDP1MAPTALDH1A1TSHR
SCHEMBL13628119 0.77 MAOB (0.40) TDP1L3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL13628116 0.72 TRPA1 (0.47) L3MBTL1MAPT

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 PTPRC 208/4885KDM4E 2171/4885PDK2 1318/4885

“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.