SCHEMBL4964237

SCHEMBL4964237

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.53
F2 P00734 11/20 0.50
F10 P00742 11/20 0.50
PLG P00747 10/20 0.50
PLAU P00749 10/20 0.50
PLAT P00750 10/20 0.50
PRSS1 P07477 7/20 0.50
PDE10A Q9Y233 2/20 0.45
F9 P00740 1/20 0.45
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
F7 P08709 3/20 0.43
PRSS2 P07478 1/20 0.43
F3 P13726 1/20 0.43
PRSS3 P35030 1/20 0.43
CARM1 Q86X55 1/20 0.42
KLKB1 P03952 1/20 0.41

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 0.89 HDAC6 (0.56) HDAC6F2F10PLGPLAU
SCHEMBL4964321 0.88 HDAC6 (0.57) HDAC6F2F10PLGPLAU
SCHEMBL4963461 0.88 F2 (0.57) HDAC6F2F10PLGPLAU
SCHEMBL4965539 0.86 HDAC6 (0.61) HDAC6F2F10PLGPLAU
SCHEMBL1509502 0.86 HDAC6 (0.47) HDAC6F2F10PLGPLAU
SCHEMBL4963154 0.86 HDAC6 (0.60) HDAC6F2F10PLGPLAU
SCHEMBL4963557 0.81 PDE10A (0.47) HDAC6F2F10PLGPLAU
SCHEMBL4962190 0.80 HDAC6 (0.51) HDAC6F2F10PLGPLAU
SCHEMBL14090607 0.79 CDK1 (0.44) HDAC6F2F10PLGPLAU
SCHEMBL4963532 0.77 HDAC6 (0.50) HDAC6F2F10PLGPLAU

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.