SCHEMBL13628109

SCHEMBL13628109

COC(=O)CCCN1C(=O)/C(=N/O)c2ccc(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 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
SCHEMBL13628117 0.84 NR4A2 (0.39) KMT2AMEN1HSD17B10ALDH1A1MAPT
SCHEMBL13628097 0.84 HSD17B10 (0.36) KMT2AMEN1HSD17B10ALDH1A1MAPT
SCHEMBL13628104 0.83 KDM4E (0.44) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL13910878 0.81 MAPT (0.42) KMT2AHSD17B10ALDH1A1CYP1A2POLB
SCHEMBL13628132 0.81 MAPT (0.42) KMT2AHSD17B10ALDH1A1CYP1A2POLB
SCHEMBL13628126 0.79 HSD17B10 (0.39) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13628107 0.77 TRPA1 (0.50) HSD17B10SLC6A2SLC6A4SLC6A3POLB
SCHEMBL13628098 0.75 HTR1A (0.49) KMT2AMEN1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13628085 0.73 KDM4E (0.47) KMT2AMEN1HSD17B10CYP1A2SMN1; SMN2
SCHEMBL13910808 0.72 PTPRC (0.34) KMT2AMEN1HSD17B10CYP1A2MAPT

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 CCNC 122/4885CDK8 170/4885KMT2A 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.