SCHEMBL4962216

SCHEMBL4962216

COc1ncccc1-c1cccc(-c2nc3cc(C(=O)NCCc4c[nH]cn4)c(F)cc3[nH]2)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 15/20 0.44
PLAU P00749 15/20 0.44
F10 P00742 12/20 0.44
F2 P00734 13/20 0.42
PLAT P00750 8/20 0.42
NAMPT P43490 1/20 0.38
CARM1 Q86X55 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL4963255 0.97 PLG (0.41) PLGPLAUF10F2PLAT
SCHEMBL1509477 0.89 F10 (0.38) PLGPLAUF10F2PLAT
SCHEMBL4963532 0.87 HDAC6 (0.50) PLGPLAUF10F2PLAT
SCHEMBL1509505 0.86 NAMPT (0.36) PLGPLAUF10F2PLAT
SCHEMBL4960666 0.79 PLG (0.40) PLGPLAUF10F2PLAT
SCHEMBL12834016 0.78 NAMPT (0.47) PLGPLAUF10F2PLAT
SCHEMBL1509535 0.77 NAMPT (0.45) PLGPLAUF10F2PLAT
SCHEMBL14091684 0.76 PBK (0.40) PLGPLAUF10F2PLAT
SCHEMBL4963266 0.74 HDAC6 (0.47) PLGPLAUF10F2PLAT
SCHEMBL4965597 0.74 HDAC6 (0.47) PLGPLAUF10F2PLAT

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 PLG 4217/4885PLAU 3843/4885F10 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.