SCHEMBL13628104

SCHEMBL13628104

O=C1c2ccccc2C(=O)N1CCCN1C(=O)/C(=N/O)c2ccc(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
HEXA P06865 3/20 0.38
HEXB P07686 3/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HTT P42858 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
SCHEMBL13628085 0.90 KDM4E (0.47) KDM4EMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL13628098 0.84 HTR1A (0.49) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13628093 0.84 MMP2 (0.45) KDM4EMEN1KMT2ACYP1A2
SCHEMBL13628111 0.84 PTPRC (0.43) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13628109 0.83 CCNC (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13628105 0.82 MAPT (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13628125 0.81 HTT (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL13628119 0.79 MAOB (0.40) SMN1; SMN2ALDH1A1
SCHEMBL13628107 0.72 TRPA1 (0.50) MAPT
SCHEMBL13628084 0.71 CHRM5 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 KDM4E 2171/4885MEN1 4320/4885KMT2A 3594/4885

“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.