SCHEMBL4964321

SCHEMBL4964321

COC(=O)c1ccc2nc(-c3cccc(-c4cccnc4OC)c3O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.57
F2 P00734 8/20 0.52
F10 P00742 8/20 0.52
PLG P00747 7/20 0.52
PLAU P00749 7/20 0.52
PLAT P00750 7/20 0.52
PRSS1 P07477 6/20 0.52
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
BRD4 O60885 1/20 0.47
PDE10A Q9Y233 1/20 0.46
F9 P00740 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
F7 P08709 2/20 0.46
PRSS2 P07478 1/20 0.46
F3 P13726 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL4962621 0.91 HDAC6 (0.56) HDAC6F2F10PLGPLAU
SCHEMBL4965539 0.90 HDAC6 (0.61) HDAC6F2F10PLGPLAU
SCHEMBL4963461 0.90 F2 (0.57) HDAC6F2F10PLGPLAU
SCHEMBL4963154 0.89 HDAC6 (0.60) HDAC6F2F10PLGPLAU
SCHEMBL4964237 0.88 HDAC6 (0.53) HDAC6F2F10PLGPLAU
SCHEMBL1509469 0.85 MMP2 (0.48) HDAC6F2F10PLGPLAU
SCHEMBL4963557 0.83 PDE10A (0.47) HDAC6F2F10PLGPLAU
SCHEMBL4962190 0.81 HDAC6 (0.51) HDAC6F2F10PLGPLAU
SCHEMBL4963532 0.81 HDAC6 (0.50) HDAC6F2F10PLGPLAU
SCHEMBL4963489 0.80 CARM1 (0.49) HDAC6CARM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HDAC6 541/4885F2 2487/4885F10 3867/4885

“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.